SCHEMBL2768720

SCHEMBL2768720

COc1ccc(NC(=O)N(S)c2noc3cccc(N(C)C)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
KDR P35968 2/20 0.48
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 2/20 0.40
ESR2 Q92731 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2769970 0.90 HIF1A (0.49) KITKDRHIF1ASMN1; SMN2NPC1
SCHEMBL2768565 0.89 MAPT (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2768573 0.85 NOX1 (0.40) KITKDRHIF1ANPC1RAB9A
SCHEMBL2768388 0.83 KIT (0.44) KITKDRHIF1ASMN1; SMN2NPC1
SCHEMBL2769354 0.82 MAPT (0.48) HIF1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2770452 0.80 SMN1; SMN2 (0.42) HIF1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2770801 0.77 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2768714 0.75 CYP1A2 (0.48) KITKDRHIF1ASMN1; SMN2NPC1
SCHEMBL2769331 0.75 RAB9A (0.36) HIF1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2769297 0.74 NPC1 (0.45) HIF1ASMN1; SMN2NPC1RAB9AMEN1

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 KIT 2633/4885KDR 4106/4885HIF1A 1664/4885

“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.