SCHEMBL2768967

SCHEMBL2768967

COc1cccc2onc(NCc3ccc(Cl)cc3)c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ EGFR P00533 1/20 0.45
▸ PDE5A O76074 3/20 0.45
▸ GRK6 P43250 1/20 0.45
▸ SGMS2 Q8NHU3 3/20 0.43
▸ SGMS1 Q86VZ5 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ EIF2AK1 Q9BQI3 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL2770313 0.83 RAB9A (0.58) KCNA5KDM4EALDH1A1HPGDMAPT
SCHEMBL2767199 0.82 KCNA5 (0.51) KCNA5ALDH1A1EGFRSGMS2SGMS1
SCHEMBL2628028 0.81 KCNA5 (0.52) KCNA5SGMS2SGMS1TP53
SCHEMBL6922784 0.77 SGMS2 (0.57) KCNA5KDM4EALDH1A1HPGDMAPK1
SCHEMBL2770314 0.76 KCNA5 (0.42) KCNA5KDM4EALDH1A1HPGDSGMS2
SCHEMBL1782414 0.75 KCNA5 (0.58) KCNA5SGMS2SGMS1
SCHEMBL2767711 0.75 KCNA5 (0.56) KCNA5KDM4EALDH1A1HPGDMAPK1
SCHEMBL2786203 0.74 MAPT (0.48) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL2767990 0.73 KCNA5 (0.43) KCNA5EGFRPDE5ATP53MEN1
SCHEMBL2768384 0.73 KCNA5 (0.53) KCNA5KDM4EHPGDMAPK1EGFR

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 38/4885KDM4E 276/4885ALDH1A1 1965/4885

“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.

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