SCHEMBL434666

SCHEMBL434666

C#Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TRPV4 Q9HBA0 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MME P08473 1/20 0.35
ECE1 P42892 1/20 0.35
NFE2L2 Q16236 2/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL30111761 1.00 ALDH1A1 (0.42) ALDH1A1CES2CES1CA3CA6
SCHEMBL4336625 0.84 ESR2 (0.47) CA3CA6CA5ACA9CA14
SCHEMBL718612 0.80 CA3 (0.42) ALDH1A1CES2CES1CA3CA6
SCHEMBL3245685 0.79 ALDH1A1 (0.46) ALDH1A1CES2CES1CA3CA6
SCHEMBL16182687 0.78 HDAC8 (0.34) CA9CA14TRPV4CYP11B1CYP11B2
SCHEMBL3433348 0.76 PYCR1 (0.42) ALDH1A1TRPV4CYP11B1CYP11B2CYP2A6
SCHEMBL3433424 0.76 NFE2L2 (0.36) TRPV4TDP1NFE2L2CYP11B1CYP11B2
SCHEMBL22031695 0.76 TRPV4 (0.33) TRPV4
SCHEMBL15148277 0.76 CYP11B1 (0.35) ALDH1A1TRPV4TDP1CYP11B1CYP11B2
SCHEMBL2784467 0.76 CYP11B2 (0.36) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP claimed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP claimed
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 EP claimed
EP-1599201-B1 SELECTIVE NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-04-14 EP claimed
EP-1502292-A4 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE INC (US) 2009-01-21 EP claimed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
JP-2005524240-A 2005-08-11 JP claimed
US-6852474-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2005-02-08 US claimed
EP-1502292-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION Brewer Science, Inc. (US) 2005-02-02 EP claimed
US-20030224586-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-12-04 US claimed
WO-2003094213-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2003-11-13 WO claimed
WO-2025034034-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR TUMORS COMPRISING SAME 주식회사 대웅제약 2025-02-13 WO disclosed
US-12186313-B2 Pyridazinone compounds and their use as DAAO inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-07 US disclosed
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20030224586-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-12-04 US disclosed
WO-2003094213-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2003-11-13 WO disclosed
WO-2002067913-A8 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF UNIV TEMPLE (US) 2002-11-14 WO disclosed
WO-2002067913-A1 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-06 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 (2 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-12186313-B2 Pyridazinone compounds and their use as DAAO inhibitors PNPO, DAO, DPYD ALDH1A1 54/4885CES2 426/4885CES1 362/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B ALDH1A1 2222/4885CES2 906/4885CES1 303/4885

“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.