SCHEMBL2767199

SCHEMBL2767199

COc1cccc2onc(NCc3ccc(OC(F)F)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.51
EGFR P00533 2/20 0.41
EPHX2 P34913 1/20 0.40
THRB P10828 1/20 0.39
CHRM4 P08173 2/20 0.39
SGMS2 Q8NHU3 3/20 0.39
CNR2 P34972 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
IGF1R P08069 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KAT7 O95251 2/20 0.37
KAT6B Q8WYB5 2/20 0.37
KAT6A Q92794 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2768967 0.82 KCNA5 (0.56) KCNA5EGFREPHX2SGMS2SGMS1
SCHEMBL1782414 0.71 KCNA5 (0.58) KCNA5SGMS2SGMS1KAT7KAT6B
SCHEMBL2767711 0.70 KCNA5 (0.56) KCNA5EGFREPHX2SGMS2SGMS1
SCHEMBL1477615 0.70 KCNA5 (0.83) KCNA5SGMS2SGMS1KAT7KAT6B
SCHEMBL1478103 0.70 KCNA5 (0.61) KCNA5SGMS2SGMS1KAT7KAT6B
SCHEMBL1478104 0.70 KCNA5 (0.61) KCNA5SGMS2SGMS1KAT7KAT6B
SCHEMBL1478152 0.70 KCNA5 (0.61) KCNA5SGMS2SGMS1KAT7KAT6B
SCHEMBL2767990 0.69 KCNA5 (0.43) KCNA5EGFRKAT7KAT6BKAT6A
SCHEMBL2768384 0.69 KCNA5 (0.53) KCNA5EGFRSGMS2SGMS1MEN1
SCHEMBL19736141 0.69 KCNA5 (0.50) KCNA5SGMS2SGMS1KAT7KAT6B

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 10 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
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 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 (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 KCNA5 38/4885EGFR 4828/4885EPHX2 3694/4885

“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.