SCHEMBL2769784

SCHEMBL2769784

C=C(C)CNC(=O)N(S)c1noc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HIF1A Q16665 8/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2768303 0.85 RAB9A (0.41) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2770586 0.82 MAOB (0.41) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2770003 0.81 NPC1 (0.45) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2768687 0.80 HIF1A (0.41) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2769006 0.80 HPGD (0.43) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2768099 0.78 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2768264 0.78 SMN1; SMN2 (0.42) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2768827 0.77 SMN1; SMN2 (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL2767619 0.77 MAPT (0.47) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL2768067 0.77 SSTR4 (0.40) NPC1RAB9AHIF1AMAPTSMN1; 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 NPC1 2230/4885RAB9A 3127/4885HIF1A 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.