SCHEMBL2770586

SCHEMBL2770586

CCCNC(=O)N(S)c1noc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
HIF1A Q16665 5/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
EPHX1 P07099 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36

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 0.90 RAB9A (0.41) NPC1RAB9AMAPTHIF1AKDM4E
SCHEMBL2769006 0.86 HPGD (0.43) NPC1RAB9AMAPTHIF1AKDM4E
SCHEMBL2768099 0.85 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2768264 0.84 SMN1; SMN2 (0.42) NPC1RAB9AMAPTHIF1AKDM4E
SCHEMBL2770003 0.83 NPC1 (0.45) NPC1RAB9AMAPTHIF1ASMN1; SMN2
SCHEMBL2769784 0.82 NPC1 (0.38) NPC1RAB9AMAPTHIF1AKDM4E
SCHEMBL2768687 0.82 HIF1A (0.41) NPC1RAB9AMAPTHIF1AKDM4E
SCHEMBL2768895 0.81 MAPT (0.47) RAB9AMAPTHIF1ASMN1; SMN2LMNA
SCHEMBL2768773 0.81 SSTR4 (0.39) MAOBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2767619 0.79 MAPT (0.47) NPC1RAB9AMAPTHIF1AKDM4E

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 MAOB 1172/4885NPC1 2230/4885RAB9A 3127/4885

“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.