SCHEMBL2767926

SCHEMBL2767926

COc1ccc(N(S)C(=O)Nc2noc3cccc(OC)c23)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ KIT P10721 2/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL2768874 0.83 KAT6A (0.42) KCNA5SMN1; SMN2MAPTTP53KDR
SCHEMBL2773319 0.82 KCNA5 (0.43) KCNA5HIF1ASMN1; SMN2MAPTTP53
SCHEMBL2769564 0.78 GHSR (0.44) KCNA5HIF1AMAPTSGMS2NPC1
SCHEMBL2771751 0.75 TP53 (0.39) KCNA5HIF1ASMN1; SMN2MAPTTP53
SCHEMBL19706541 0.75 KCNA5 (0.52) KCNA5HIF1ASMN1; SMN2MAPTTP53
SCHEMBL2767921 0.74 ALDH1A1 (0.60) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL2769621 0.74 KCNA5 (0.41) KCNA5SMN1; SMN2MAPTKDRKIT
SCHEMBL6816672 0.74 NPC1 (0.49) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL2770314 0.73 KCNA5 (0.42) KCNA5SMN1; SMN2MAPTTP53SGMS2
SCHEMBL11546971 0.72 NPC1 (0.45) MAPTNPC1RAB9AHTTKMT2A

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 4 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US claimed
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 KCNA5 38/4885HIF1A 1664/4885SMN1; SMN2 1349/4885

“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.

Send feedback