SCHEMBL1996117

SCHEMBL1996117

N#Cc1cc(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.41
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
KHK P50053 1/20 0.35
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
DHODH Q02127 1/20 0.35
AR P10275 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
BCAT1 P54687 1/20 0.30

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
SCHEMBL9488312 0.87 TRPV4 (0.41) TRPV4CES2CES1KHKCYP11B1
SCHEMBL2234841 0.78 TRPV4 (0.48) TRPV4KHKCYP11B1CYP11B2DHODH
SCHEMBL9491002 0.78 TRPV4 (0.40) TRPV4CES2CES1KHKCYP11B1
SCHEMBL31588414 0.77 TRPV4 (0.48) TRPV4CES2CES1KHKCYP11B1
SCHEMBL809090 0.77 TRPV4 (0.48) TRPV4CES2CES1KHKCYP11B1
SCHEMBL23850353 0.76 AR (0.46) TRPV4CES2CES1ARESR1
SCHEMBL20597951 0.76 KHK (0.41) TRPV4KHKCYP11B1CYP11B2DHODH
SCHEMBL504867 0.76 TRPV4 (0.39) TRPV4CES2CES1KHKCYP11B1
SCHEMBL21455387 0.76 TRPV4 (0.39) TRPV4CYP11B1CYP11B2MAOAMAOB
SCHEMBL20562679 0.76 TSHR (0.38) TRPV4CYP11B1CYP11B2DHODHAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-0994849-B1 METHOD FOR PRODUCTION OF 2,4,5-TRIFLUOROBENZONITRILE BAYER AG (DE) 2002-09-04 EP claimed
EP-4105216-B1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-05-20 EP disclosed
US-20250242338-A1 IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME OSAKA UNIVERSITY (JP) 2025-07-31 US disclosed
EP-4509462-A1 IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME OSAKA UNIVERSITY (JP) 2025-02-19 EP disclosed
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
CN-119053551-A Nano iron phosphide particles, composite containing nano iron phosphide particles and reduction catalyst 国立大学法人大阪大学 2024-11-29 CN disclosed
US-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-10-22 US disclosed
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 US disclosed
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 US disclosed
CN-115135648-B Dihydronaphthyridones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-09 CN disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO disclosed
US-6452056-B1 REDUCING FLUORINATED BENZONITRILE TO A BENZYLAMINE WHICH IS REPLACED WITH A HYDROXYL GROUP ASAHI GLASS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 WO disclosed
CN-1312783-A Process for preparing fluorobenzyl derivatives ASASHI GLASS CO (JP) 2001-09-12 CN disclosed
EP-1114809-A1 PROCESS FOR THE PREPARATION OF FLUOROBENZYL DERIVATIVES Asahi Glass Co., Ltd. (JP) 2001-07-11 EP disclosed
US-6075160-A 4-cyano-2,5-difluoroaniline preparation process BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
EP-0270964-B1 PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES BAYER AG (DE) 1992-07-08 EP disclosed
US-4868347-A SOLVENT EXTRACTION BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 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 (4 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-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same INTS9, GTF2I, BRI3BP TRPV4 2087/4885CES2 1714/4885CES1 2870/4885
US-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN TRPV4 3717/4885CES2 753/4885CES1 81/4885
US-20250242338-A1 IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME FECH, PI4K2A, PHOSPHO1 TRPV4 1443/4885CES2 3579/4885CES1 3141/4885
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK4 TRPV4 4569/4885CES2 4606/4885CES1 1988/4885

“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.