SCHEMBL2769741

SCHEMBL2769741

CSc1ccccc1NC(=S)Nc1noc2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL2787333 0.78 SMN1; SMN2 (0.45) ALDH1A1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL2772968 0.75 SMN1; SMN2 (0.41) ALDH1A1KMT2ATP53SMN1; SMN2CACNA1B
SCHEMBL2767338 0.74 KMT2A (0.52) ALDH1A1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL2769745 0.74 RAB9A (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL2767332 0.73 GAA (0.47) ALDH1A1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL2770798 0.72 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL2767526 0.71 ALDH1A1 (0.53) ALDH1A1KMT2ATP53SMN1; SMN2MEN1
SCHEMBL2771187 0.70 SMN1; SMN2 (0.61) ALDH1A1KMT2ATP53SMN1; SMN2MEN1
SCHEMBL2771566 0.70 ALDH1A1 (0.50) ALDH1A1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL2768955 0.69 MAOB (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT

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 ALDH1A1 1965/4885KMT2A 197/4885TP53 4784/4885

“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.