SCHEMBL2768065

SCHEMBL2768065

CC(C)(C)NC(=S)Nc1noc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 5/20 0.48
KCNA5 P22460 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 10/20 0.43
EPHX1 P07099 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL2768684 0.83 SMN1; SMN2 (0.51) SMN1; SMN2TP53KCNA5MAPTMEN1
SCHEMBL2768300 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TP53KCNA5MAPTALDH1A1
SCHEMBL2768746 0.79 TP53 (0.48) SMN1; SMN2TP53KCNA5MAPTALDH1A1
SCHEMBL2769319 0.79 ALDH1A1 (0.55) SMN1; SMN2TP53MAPTMEN1ALDH1A1
SCHEMBL2770582 0.77 KMT2A (0.51) SMN1; SMN2TP53KCNA5MAPTALDH1A1
SCHEMBL2771566 0.77 ALDH1A1 (0.50) SMN1; SMN2TP53MAPTMEN1ALDH1A1
SCHEMBL2768875 0.76 SMN1; SMN2 (0.53) SMN1; SMN2TP53KCNA5MAPTMEN1
SCHEMBL18232975 0.76 KCNA5 (0.56) SMN1; SMN2TP53KCNA5MAPTKMT2A
SCHEMBL2438375 0.76 SMN1; SMN2 (0.57) SMN1; SMN2TP53KCNA5MAPTL3MBTL1
SCHEMBL2769999 0.75 MAOB (0.54) SMN1; SMN2TP53MAPTMEN1ALDH1A1

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 SMN1; SMN2 1349/4885TP53 4784/4885KCNA5 38/4885

“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.