SCHEMBL2767423

SCHEMBL2767423

Fc1cccc2c(NCc3ccc(OC(F)(F)F)cc3)noc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
NTRK1 P04629 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
KCNN3 Q9UGI6 1/20 0.40
VNN1 O95497 2/20 0.40
P2RX7 Q99572 1/20 0.40
KDR P35968 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2C P28335 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2769633 0.88 EPHX2 (0.46) EPHX2AURKAAURKBKCNN3P2RX7
SCHEMBL2768006 0.81 EPHX2 (0.72) EPHX2MAPK8MAPK10CTNNB1TCF7L2
SCHEMBL2768863 0.77 EPHX2 (0.45) EPHX2AURKARPS6KB1MAPT
SCHEMBL2768745 0.77 GRM4 (0.47) EPHX2AURKARPS6KB1SMN1; SMN2CYP3A4
SCHEMBL2768298 0.76 RPS6KB1 (0.42) EPHX2AURKARPS6KB1SMN1; SMN2CYP3A4
SCHEMBL2767372 0.76 EPHX2 (0.51) EPHX2MAPK8MAPK10CTNNB1TCF7L2
SCHEMBL2768283 0.72 EPHX2 (0.47) EPHX2NTRK1VNN1
SCHEMBL2767467 0.70 MAPT (0.46) HTTSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL3110555 0.69 APP (0.71) CTNNB1TCF7L2NTRK1USP1WDR48
SCHEMBL21499820 0.68 KCNN3 (0.44) EPHX2MAPK8MAPK10CTNNB1TCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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 (1 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 EPHX2 3694/4885MAPK8 2086/4885MAPK10 989/4885

“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.