SCHEMBL2087532

SCHEMBL2087532

Nc1cc(C(F)(F)F)cc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
BACE1 P56817 2/20 0.40
GABRA2 P47869 5/20 0.38
GABRB2 P47870 5/20 0.38
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA4 P48169 4/20 0.38
GABRE P78334 4/20 0.38
GABRA6 Q16445 4/20 0.38
GABRG1 Q8N1C3 4/20 0.38
GABRG3 Q99928 4/20 0.38
GABRQ Q9UN88 4/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL29560454 1.00 NOS3 (0.45) NOS3NOS2BACE1GABRA2GABRB2
SCHEMBL272886 0.84 NOS3 (0.54) NOS3NOS2BACE1ALDH1A1KDM4E
SCHEMBL561772 0.84 ALDH1A1 (0.40) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL13907103 0.83 RIPK2 (0.36) NOS3NOS2BACE1GABRA2GABRB2
SCHEMBL11368669 0.80 CDK2 (0.38) CDK2KDM4EMAPTTSHRCYP3A4
SCHEMBL18197814 0.79 KMT2A (0.35) NOS3NOS2CDK2KDM4E
SCHEMBL24126364 0.78 KDM4E (0.42) NOS3NOS2GABRB2GABRA1ALDH1A1
SCHEMBL12788231 0.76 TACR1 (0.37) GABRA2GABRB2GABRB3ALDH1A1XPO1
SCHEMBL4703323 0.76 ADORA2A (0.39) GABRA2GABRB2ALDH1A1XPO1KDM4E
SCHEMBL17923118 0.76 NOS3 (0.47) NOS3NOS2BACE1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101899010-B Quinazol derivative, preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2013-08-21 CN claimed
CN-101899010-A Quinazol derivative, preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2010-12-01 CN claimed
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-19 US disclosed
US-12473303-B2 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino methyl]piperidin-3-ol compounds and their therapeutic use Carrick Therapeutics Limited (IE) 2025-11-18 US disclosed
EP-4620531-A2 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2025-09-24 EP disclosed
WO-2025119372-A2 MRGPRX2 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-06-12 WO disclosed
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2025-05-29 US disclosed
EP-4320112-B1 PYRIDINYL SUBSTITUTED OXOISOINDOLINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2025-05-14 EP disclosed
US-12258366-B2 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2025-03-25 US disclosed
US-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2025-03-04 US disclosed
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2025-02-27 US disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO disclosed
EP-2030971-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-03-04 EP disclosed
EP-0828710-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
US-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037466-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed
EP-0031218-B1 A 2-AMINO-TRIFLUOROMETHYL-HALOGENOPYRIDINE COMPOUND AND A PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1983-05-11 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 (6 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-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF POLQ, POLB, POLM NOS3 3919/4885NOS2 3417/4885BACE1 147/4885
US-12473303-B2 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino methyl]piperidin-3-ol compounds and their therapeutic use CDK3, CDK1, CDK2 NOS3 3211/4885NOS2 4159/4885BACE1 207/4885
US-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 NOS3 3/4885NOS2 1/4885BACE1 47/4885
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 NOS3 3/4885NOS2 1/4885BACE1 47/4885
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression GPR139, OPRL1, GRIN2C NOS3 4101/4885NOS2 4588/4885BACE1 140/4885
US-12258366-B2 Bicyclic heteroaryl compounds and uses thereof SOST, SOS1, SOS2 NOS3 4111/4885NOS2 4440/4885BACE1 180/4885

“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.