SCHEMBL2768643

SCHEMBL2768643

COc1cccc(NC(=O)N(S)c2noc3cc(Cl)ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
GRIK1 P39086 1/20 0.44
STAT1 P42224 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
BAP1 Q92560 1/20 0.44
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2769297 0.89 NPC1 (0.45) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2768960 0.81 P2RX1 (0.41) HIF1ASMN1; SMN2NPC1RAB9AGRIK1
SCHEMBL2769970 0.78 HIF1A (0.49) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2769812 0.76 TDP1 (0.45) HIF1ARAB9AMAPTHTTPKM
SCHEMBL2768640 0.75 MAPT (0.50) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2768548 0.73 MAPT (0.51) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2770643 0.73 MAPT (0.44) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL2437430 0.72 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL2769009 0.71 NPC1 (0.47) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2769848 0.71 MAPT (0.61) HIF1ASMN1; SMN2MAPTHTTMEN1

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 HIF1A 1664/4885SMN1; SMN2 1349/4885NPC1 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.