SCHEMBL2669936

SCHEMBL2669936

COc1cc(C(F)(F)F)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
HTR2A P28223 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAK O14976 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LRRK2 Q5S007 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL169247 0.85 GAA (0.55) L3MBTL1RAB9AHTR2AGAAMAPT
SCHEMBL10451549 0.83 MEN1 (0.53) L3MBTL1RAB9AHTR2AMAPTNPSR1
SCHEMBL11286501 0.81 PGR (0.45) HSD17B10MEN1ALOX15MAPK1KMT2A
SCHEMBL2625766 0.81 KDM4E (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22719533 0.79 L3MBTL1 (0.47) L3MBTL1RAB9AGAAMAPTNPSR1
SCHEMBL29505037 0.79 L3MBTL1 (0.47) L3MBTL1RAB9AGAAMAPTNPSR1
SCHEMBL935540 0.79 L3MBTL1 (0.45) L3MBTL1RAB9AHTR2AMAPTNPSR1
SCHEMBL28407737 0.79 L3MBTL1 (0.45) L3MBTL1RAB9AHTR2AMAPTNPSR1
SCHEMBL15958858 0.79 MEN1 (0.41) HTR2AMAPTNPSR1KDM4EUSP2
SCHEMBL13696455 0.79 CYP2C19 (0.51) L3MBTL1HTR2AGAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
WO-2023072962-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-05-04 WO disclosed
EP-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
WO-2021126693-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-06-24 WO disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 WO disclosed
EP-3656781-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES The Scripps Research Institute (US) 2020-05-27 EP disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1992625-A1 Arylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP disclosed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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 (7 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-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 L3MBTL1 2809/4885RAB9A 2445/4885HTR2A 286/4885
US-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 L3MBTL1 4477/4885RAB9A 1821/4885HTR2A 121/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R L3MBTL1 4237/4885RAB9A 2774/4885HTR2A 21/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT L3MBTL1 2921/4885RAB9A 3865/4885HTR2A 2187/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP L3MBTL1 3585/4885RAB9A 4127/4885HTR2A 32/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C L3MBTL1 4265/4885RAB9A 3811/4885HTR2A 7/4885
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 L3MBTL1 1631/4885RAB9A 1936/4885HTR2A 1998/4885

“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.