SCHEMBL524167

SCHEMBL524167

N#Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
KIF11 P52732 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CCR6 P51684 1/20 0.40
CYP11B2 P19099 1/20 0.39
MTOR P42345 3/20 0.39
PIK3CA P42336 2/20 0.39
CYP19A1 P11511 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
S1PR1 P21453 1/20 0.37
SYK P43405 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL29480819 1.00 TRPV4 (0.52) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL24400762 0.89 KIF11 (0.44) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL8577924 0.86 KDM4E (0.41) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL18397439 0.84 ALDH1A1 (0.43) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL1420598 0.84 KDM4E (0.40) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL8946680 0.84 KIF11 (0.41) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL29858989 0.84 ALDH1A1 (0.43) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL12464107 0.81 KDM4E (0.38) TRPV4KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL15006214 0.81 CYP19A1 (0.51) TRPV4KIF11KDM4ECYP11B2CYP19A1
SCHEMBL18443352 0.80 HSD11B1 (0.38) TRPV4KIF11KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622712-A1 SUBSTITUTED MACROCYCLIC AMINE MODULATORS OF OREXIN RECEPTOR 2 Vertex Pharmaceuticals Incorporated (US) 2025-10-01 EP disclosed
WO-2024112899-A1 SUBSTITUTED MACROCYCLIC AMINE MODULATORS OF OREXIN RECEPTOR 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-05-30 WO disclosed
CN-117199519-A Electrolyte, preparation method and application thereof, and lithium battery 北京纳米能源与系统研究所 2023-12-08 CN disclosed
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
EP-3657521-B1 DYE-SENSITIZED PHOTOELECTRIC CONVERSION ELEMENT NSK LTD (JP) 2023-05-17 EP disclosed
CN-110998769-B Dye-sensitized photoelectric conversion element 日本精工株式会社 2022-07-01 CN disclosed
CN-114401963-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2022-04-26 CN disclosed
US-10784051-B2 Dye-sensitized photoelectric conversion element NSK LTD. (JP) 2020-09-22 US disclosed
US-20200211787-A1 DYE-SENSITIZED PHOTOELECTRIC CONVERSION ELEMENT NSK LTD. (JP) 2020-07-02 US disclosed
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 EP disclosed
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 US disclosed
EP-0902026-B1 Herbicidal 2-azinyl-6-aryloxypyr(mi)dines BASF AG (DE) 2006-04-12 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 EP disclosed
EP-0902026-A1 Herbicidal 2-azinyl-6-aryloxypyr (mi) dines American Cyanamid Company (US) 1999-03-17 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 (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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 TRPV4 2659/4885KIF11 2260/4885KDM4E 892/4885
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS TRPV4 789/4885KIF11 3255/4885KDM4E 1522/4885

“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.