SCHEMBL2767548

SCHEMBL2767548

COC(=O)C(C)NC(=S)Nc1noc2cccc(OCC(F)(F)F)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
SGMS2 Q8NHU3 11/20 0.35
SGMS1 Q86VZ5 5/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CG P48736 1/20 0.32
KAT7 O95251 1/20 0.32
KAT6A Q92794 1/20 0.32
UGCG Q16739 1/20 0.32

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
SCHEMBL3560643 0.91 SGMS2 (0.37) KCNA5SGMS2SGMS1SMN1; SMN2
SCHEMBL2768450 0.84 MEN1 (0.44) SGMS2TP53MAPTSMN1; SMN2MEN1
SCHEMBL2767552 0.80 KCNA5 (0.36) KCNA5SGMS2SGMS1MAPTKAT6A
SCHEMBL2439003 0.79 KDM4E (0.42) KCNA5SGMS2SGMS1MAPTKMT2A
SCHEMBL2767898 0.79 NPC1 (0.37) KCNA5SGMS2SGMS1SMN1; SMN2
SCHEMBL2771745 0.79 ALDH1A1 (0.45) KCNA5SGMS2SGMS1MAPTMEN1
SCHEMBL2769338 0.77 ALDH1A1 (0.48) KCNA5SGMS2SGMS1MAPTSMN1; SMN2
SCHEMBL2442656 0.77 KCNA5 (0.40) KCNA5SGMS2SGMS1TP53SMN1; SMN2
Cyclohexane SCHEMBL2442882 0.77 KCNA5 (0.39) KCNA5SGMS2SGMS1TP53MAPT
SCHEMBL2437982 0.77 S1PR1 (0.49) KCNA5SGMS2SGMS1TP53MAPT

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 5 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
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 KCNA5 38/4885SGMS2 4737/4885SGMS1 4779/4885

“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.