SCHEMBL1755262

SCHEMBL1755262

CCc1ccc(C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
AGTR1 P30556 1/20 0.49
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPA1 O75762 1/20 0.43
KDM1A O60341 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CCR2 P41597 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
S1PR1 P21453 1/20 0.38
IDO1 P14902 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL12107538 0.83 CYP3A4 (0.54) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL1622230 0.83 MAPT (0.48) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL8338503 0.82 SIGMAR1 (0.47) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL4026046 0.81 CYP3A4 (0.48) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL12643 0.81 TRPA1 (0.43) MAPTGAAAGTR1ALDH1A1TRPA1
SCHEMBL30031076 0.81 CYP3A4 (0.48) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL93983 0.80 IDO1 (0.58) MAPTALDH1A1TRPA1CYP1A2IDO1
SCHEMBL92958 0.79 S1PR1 (0.51) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL11086985 0.79 IDO1 (0.64) MAPTGAAAGTR1CYP3A4ALDH1A1
SCHEMBL109221 0.79 CYP3A4 (0.52) CYP3A4ALDH1A1NPSR1KDM1ACSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
EP-3971182-A1 2-SUBSTITUTED AMINO-NAPHTH[1,2-D]IMIDAZOL-5-ONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PTC Therapeutics, Inc. (US) 2022-03-23 EP disclosed
US-11198699-B2 Compounds targeting PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-11180499-B2 Phosphodiesterase inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2021-11-23 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 US 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 (10 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAPT 4114/4885GAA 1018/4885AGTR1 1132/4885
US-11198699-B2 Compounds targeting PRMT5 PRMT5, PRMT1, PRMT6 MAPT 1765/4885GAA 2900/4885AGTR1 802/4885
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 MAPT 1919/4885GAA 2628/4885AGTR1 2968/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MAPT 4656/4885GAA 1681/4885AGTR1 674/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 MAPT 4671/4885GAA 1519/4885AGTR1 703/4885
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 MAPT 459/4885GAA 491/4885AGTR1 85/4885
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 MAPT 1408/4885GAA 3349/4885AGTR1 3661/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 MAPT 1408/4885GAA 3349/4885AGTR1 3661/4885
US-11180499-B2 Phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C MAPT 1549/4885GAA 138/4885AGTR1 2223/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 MAPT 2335/4885GAA 1708/4885AGTR1 661/4885

“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.