SCHEMBL2769003

SCHEMBL2769003

COCCNC(=S)Nc1noc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 8/20 0.51
TP53 P04637 5/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALPL P05186 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2768260 0.93 MEN1 (0.54) PKMCACNA1BAPBA1POLBSMN1; SMN2
SCHEMBL2770582 0.85 KMT2A (0.51) SMN1; SMN2TP53MAPTKMT2AALDH1A1
SCHEMBL2768300 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTALDH1A1GAA
SCHEMBL2768875 0.81 SMN1; SMN2 (0.53) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL2768095 0.81 RAB9A (0.55) PKMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2769999 0.79 MAOB (0.54) PKMPOLBSMN1; SMN2TP53MAPT
SCHEMBL2769781 0.78 ALDH1A1 (0.46) SMN1; SMN2TP53MAPTKMT2AALDH1A1
SCHEMBL2768684 0.78 SMN1; SMN2 (0.51) POLBSMN1; SMN2TP53MAPTMEN1
SCHEMBL2768892 0.77 KMT2A (0.54) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL2771152 0.76 MEN1 (0.52) POLBSMN1; SMN2TP53MAPTMEN1

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 PKM 623/4885CACNA1B 58/4885APBA1 988/4885

“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.