SCHEMBL5023995

SCHEMBL5023995

Cc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 2/20 0.44
ACHE P22303 1/20 0.43
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
KMO O15229 2/20 0.41
GPR3 P46089 1/20 0.41
PGK1 P00558 1/20 0.41

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
SCHEMBL11910291 0.88 MAPT (0.46) SLC1A5ACHEMAPTL3MBTL1RAB9A
SCHEMBL13523564 0.85 ACHE (0.48) SLC1A5ACHEMAPTL3MBTL1HPGD
SCHEMBL15158671 0.83 ACHE (0.46) ACHEMAPTL3MBTL1RAB9AATM
SCHEMBL25875513 0.83 MAPT (0.40) ACHEMAPTL3MBTL1RAB9AATM
SCHEMBL23239915 0.80 PGK1 (0.41) SLC1A5ACHEKMOGPR3PGK1
SCHEMBL2414604 0.80 SLC1A5 (0.43) SLC1A5L3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL1105470 0.80 ACHE (0.65) ACHEMAPTL3MBTL1RAB9AHPGD
SCHEMBL10196126 0.80 ACHE (0.65) ACHEMAPTL3MBTL1RAB9AHPGD
SCHEMBL29855159 0.80 SLC1A5 (0.43) SLC1A5L3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL8737272 0.79 GPR3 (0.43) ACHEHPGDCYP2C9ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
US-20230271928-A1 NAPHTHYLUREA COMPOUND, METHODS OF PREPARATION AND USE THEREOF HENAN RADIOMEDICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271928-A1 NAPHTHYLUREA COMPOUND, METHODS OF PREPARATION AND USE THEREOF HENAN RADIOMEDICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-08-31 US disclosed
EP-3733663-B1 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) 2023-05-17 EP disclosed
WO-2023017452-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed
EP-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 EP disclosed
EP-3416962-B1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI SA (FR) 2021-05-05 EP disclosed
US-20210078958-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-03-18 US disclosed
EP-3733663-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2020-11-04 EP disclosed
EP-3686198-A1 mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2020-07-29 EP disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
EP-0481317-B1 Method for dechlorination and/or debromination of aromatic compounds containing fluorine with chlorine and/or bromine BAYER AG (DE) 1995-08-09 EP disclosed
US-5283378-A Process for the dechlorination and/or debromination of fluorine-and chlorine- and/or bromine-containing aromatic compounds BAYER AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0481317-A2 Method for dechlorination and/or debromination of aromatic compounds containing fluorine with chlorine and/or bromine BAYER AG (DE) 1992-04-22 EP 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 (5 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-20210078958-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF ABL1, ERBB2, FLT3 SLC1A5 640/4885ACHE 1788/4885MAPT 2054/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 SLC1A5 431/4885ACHE 4845/4885MAPT 4537/4885
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG SLC1A5 1945/4885ACHE 1331/4885MAPT 4636/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA SLC1A5 919/4885ACHE 956/4885MAPT 3082/4885
US-20230271928-A1 NAPHTHYLUREA COMPOUND, METHODS OF PREPARATION AND USE THEREOF C1R, C9, H1-3 SLC1A5 2634/4885ACHE 1375/4885MAPT 4708/4885

“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.