SCHEMBL516652

SCHEMBL516652

N#Cc1ccc(C2(C(F)(F)F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.46
KIF11 P52732 2/20 0.42
TRPA1 O75762 2/20 0.40
CACNA1G O43497 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL1538472 0.73 KIF11 (0.40) KIF11TRPA1CYP19A1ALDH1A1CYP2A6
SCHEMBL25358564 0.73 CACNA1H (0.35) CACNA1HTRPA1CACNA1GCYP3A4CYP2C8
SCHEMBL17316741 0.72 SIGMAR1 (0.33)
SCHEMBL516639 0.72 WDR5 (0.44) CYP2A6CA2CA9PDK2OPRM1
SCHEMBL17790962 0.72 SIGMAR1 (0.35) OPRM1
SCHEMBL17107468 0.72 ESR2 (0.46) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16764551 0.72 ALDH1A1 (0.45) KIF11CYP3A4CYP19A1ALDH1A1PDK2
Hydrochloric Acid SCHEMBL32670447 0.71 ALDH1A1 (0.43) KIF11CYP3A4CYP19A1ALDH1A1OPRK1
SCHEMBL18884519 0.69 TSHR (0.39) KIF11OPRM1OPRL1
SCHEMBL2334550 0.69 CYP19A1 (0.41) KIF11TRPA1CYP19A1ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026090589-A1 HETEROCYCLIC HBS1L DEGRADERS TANGO THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 US disclosed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 US disclosed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 US disclosed
CN-116075297-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2023-05-05 CN disclosed
WO-2022010880-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-01-13 WO disclosed
CN-103003269-B Heterocyclic radical benzyl pyrazole replaced and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
CN-104144925-A SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER IP GMBH 2014-11-12 CN disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (3 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-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS HIF1AN, HIF1A, EGLN3 CACNA1H 4737/4885KIF11 4583/4885TRPA1 4413/4885
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL CACNA1H 4693/4885KIF11 4865/4885TRPA1 4508/4885
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CACNA1H 79/4885KIF11 1144/4885TRPA1 363/4885

“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.