SCHEMBL2770314

SCHEMBL2770314

COc1cccc2onc(NC(=O)N(S)Cc3ccc(Cl)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ FAAH O00519 2/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ SGMS1 Q86VZ5 2/20 0.38
▸ SGMS2 Q8NHU3 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 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 0.80 KAT6A (0.42) KCNA5MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2773297 0.79 TP53 (0.41) ALDH1A1GAAFAAHTP53SMN1; SMN2
SCHEMBL2773319 0.78 KCNA5 (0.43) KCNA5MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL2770313 0.76 RAB9A (0.58) KCNA5MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2768967 0.76 KCNA5 (0.56) KCNA5MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2769685 0.75 LMNA (0.36) KCNA5MAPTKDM4EALDH1A1FAAH
SCHEMBL2769564 0.75 GHSR (0.44) KCNA5MAPTHSD17B10ALDH1A1HPGD
SCHEMBL19706541 0.74 KCNA5 (0.52) KCNA5MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2767926 0.73 KCNA5 (0.41) KCNA5MAPTHSD17B10KDM4EALDH1A1
SCHEMBL2769621 0.72 KCNA5 (0.41) KCNA5MAPTALDH1A1GAASMN1; SMN2

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 38/4885MAPT 2492/4885HSD17B10 3447/4885

“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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