SCHEMBL7462800

SCHEMBL7462800

FC(F)ONCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL8131169 0.78 SIGMAR1 (0.48) IDO1MEN1KMT2ATHRBTDP1
Hydrochloric Acid SCHEMBL27789506 0.77 MAPT (0.50) GAAIDO1MEN1KMT2ATHRB
SCHEMBL11661655 0.74 IDO1 (0.52) GAAIDO1MEN1KMT2ATHRB
SCHEMBL8130658 0.74 SIGMAR1 (0.44) IDO1MEN1KMT2ATHRBTDP1
Bromide SCHEMBL28406943 0.73 CYP3A4 (0.50) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL8827298 0.72 KMT2A (0.45) GAAIDO1MEN1KMT2ATHRB
SCHEMBL27781207 0.70 IDO1 (0.54) GAAIDO1MEN1KMT2ATHRB
SCHEMBL8252 0.70 CYP3A4 (0.52) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL351861 0.70 IDO1 (0.43) GAAIDO1MEN1KMT2ATHRB
SCHEMBL206646 0.68 HRAS (0.65) IDO1MEN1KMT2ATHRBTDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555096-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
WO-2018112382-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed
US-9776991-B2 Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-10-03 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2016-11-10 US disclosed
EP-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 EP disclosed
WO-2015082474-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-06-11 WO disclosed
US-8329911-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-11 US disclosed
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A GAA 3404/4885IDO1 4379/4885MEN1 2625/4885
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, LTA4H GAA 2731/4885IDO1 2449/4885MEN1 4469/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A GAA 3404/4885IDO1 4379/4885MEN1 2625/4885

“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.