SCHEMBL171940

SCHEMBL171940

CCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2C P28335 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
TACR1 P25103 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CXCR3 P49682 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26074528 0.86 IDO1 (0.46) IDO1HTR2AHTR2BHTR2CSIGMAR1
SCHEMBL148275 0.86 IDO1 (0.52) IDO1RXRARXRBRXRGHTR2A
SCHEMBL14647825 0.85 HSPA5 (0.32) IDO1LMNA
SCHEMBL2600194 0.83 IDO1 (0.38) IDO1RXRARXRBRXRGCYP3A4
SCHEMBL10234168 0.83 HSPA5 (0.36) IDO1RXRARXRBRXRGLMNA
SCHEMBL20178506 0.80 NPC1 (0.40) IDO1RXRARXRBRXRGCYP3A4
SCHEMBL1754090 0.79 IDO1 (0.38) IDO1RXRARXRBRXRGCYP3A4
SCHEMBL31155443 0.79 IDO1 (0.38) IDO1RXRARXRBRXRGCYP3A4
SCHEMBL25039894 0.79 RXRA (0.36) IDO1RXRARXRBRXRGCYP3A4
SCHEMBL20132763 0.79 ALDH1A1 (0.36) IDO1RXRARXRBRXRGCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661397-B2 1,4-disubstituted imidazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-05-30 US disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-05-05 US disclosed
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 WO disclosed
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-30 US disclosed
US-20210171440-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2021-06-10 US disclosed
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-03-18 US disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL IDO1 1285/4885RXRA 1108/4885RXRB 1043/4885
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF JAK1, JAK3, JAK2 IDO1 852/4885RXRA 1675/4885RXRB 1678/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A IDO1 205/4885RXRA 1378/4885RXRB 1342/4885
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG FGFR1, FGFR3, FGFR4 IDO1 2079/4885RXRA 3729/4885RXRB 3360/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 IDO1 268/4885RXRA 1207/4885RXRB 1344/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 IDO1 96/4885RXRA 1867/4885RXRB 1896/4885
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LEF1, PIEZO1, L1CAM IDO1 1278/4885RXRA 4513/4885RXRB 4394/4885
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 IDO1 1393/4885RXRA 2410/4885RXRB 2845/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 IDO1 1803/4885RXRA 1914/4885RXRB 1424/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 IDO1 3558/4885RXRA 800/4885RXRB 999/4885
US-20210171440-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 IDO1 847/4885RXRA 870/4885RXRB 1278/4885
US-11661397-B2 1,4-disubstituted imidazole derivative NR4A3, NR0B1, NR2C2 IDO1 847/4885RXRA 870/4885RXRB 1278/4885
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, NIT2 IDO1 96/4885RXRA 2912/4885RXRB 3088/4885
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same CETP, MTTP, NPC1L1 IDO1 4829/4885RXRA 2242/4885RXRB 1625/4885
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 IDO1 852/4885RXRA 1675/4885RXRB 1678/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.