SCHEMBL2770801

SCHEMBL2770801

CSc1ccccc1NC(=O)N(S)c1noc2cccc(N(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
HSD17B10 Q99714 7/20 0.40
ALOX15 P16050 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HPGD P15428 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL2769354 0.84 MAPT (0.48) ALDH1A1RAB9ANPC1ALOX15SMN1; SMN2
SCHEMBL2768573 0.83 NOX1 (0.40) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL2770452 0.82 SMN1; SMN2 (0.42) ALDH1A1RAB9ANPC1HSD17B10HPGD
SCHEMBL2768388 0.79 KIT (0.44) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2769331 0.78 RAB9A (0.36) ALDH1A1RAB9ANPC1HSD17B10HPGD
SCHEMBL2768720 0.77 KIT (0.48) ALDH1A1RAB9ANPC1HSD17B10HPGD
SCHEMBL2769970 0.76 HIF1A (0.49) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2770798 0.75 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1HSD17B10ALOX15
SCHEMBL2769745 0.75 RAB9A (0.43) ALDH1A1RAB9ANPC1HSD17B10ALOX15
SCHEMBL2768565 0.75 MAPT (0.43) ALDH1A1RAB9ANPC1HSD17B10SMN1; SMN2

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 1965/4885RAB9A 3127/4885NPC1 2230/4885

“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.