SCHEMBL2769295

SCHEMBL2769295

COc1ccc(NC(=S)Nc2noc3cc(Cl)ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
STAT1 P42224 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 5/20 0.44
GAA P10253 4/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
CASP3 P42574 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL2768640 0.88 MAPT (0.50) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2768955 0.84 MAOB (0.52) MAOAMAOBMAPTKMT2AALDH1A1
SCHEMBL2769810 0.81 ABCC9 (0.48) PPIAMAPTKMT2AALDH1A1KDM4E
SCHEMBL2787441 0.76 TP53 (0.47) MAPTKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2768556 0.74 RAB9A (0.50) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL2769297 0.73 NPC1 (0.45) MAOBMAPTKMT2AALDH1A1HPGD
SCHEMBL2767338 0.73 KMT2A (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL2437430 0.73 SMN1; SMN2 (0.57) MAPTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2770639 0.73 MAPT (0.50) MAPTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28396679 0.73 KMT2A (0.65) PPIACYP1A2CYP2C19MAOAMAOB

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 PPIA 3661/4885CYP1A2 855/4885CYP2C19 1307/4885

“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.