SCHEMBL2768458

SCHEMBL2768458

CCN(CC)c1ccc(NC(=O)N(S)c2noc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.50
HIF1A Q16665 4/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOX1 Q9Y5S8 1/20 0.47
GHSR Q92847 5/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
LMNA P02545 2/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL2768329 0.88 HIF1A (0.63) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL2769321 0.85 HIF1A (0.56) HIF1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2768628 0.84 HIF1A (0.47) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL2771191 0.83 SMN1; SMN2 (0.50) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL2770662 0.81 EPHX2 (0.52) HIF1ANPC1RAB9A
SCHEMBL2768335 0.80 HIF1A (0.48) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL2768303 0.79 RAB9A (0.41) HIF1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2767495 0.79 HIF1A (0.38) HIF1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2769009 0.78 NPC1 (0.47) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL2768548 0.78 MAPT (0.51) HIF1ANPC1RAB9AMEN1KMT2A

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 HCRTR1 2507/4885HIF1A 1664/4885NPC1 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.