SCHEMBL2769787

SCHEMBL2769787

COc1ccccc1NC(=O)N(S)c1noc2cccc(OC)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.52
KCNA5 P22460 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL2769354 0.91 MAPT (0.48) HIF1AKCNA5SMN1; SMN2STAT3STAT1
SCHEMBL2768864 0.81 KCNA5 (0.47) KCNA5MAPTALDH1A1GAAHTT
SCHEMBL2773319 0.74 KCNA5 (0.43) HIF1AKCNA5SMN1; SMN2MAPTALDH1A1
SCHEMBL2769340 0.74 MAPT (0.44) KCNA5SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL2770035 0.74 KDM4E (0.51) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL2634071 0.73 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1GAANPC1
SCHEMBL2769970 0.72 HIF1A (0.49) HIF1ASMN1; SMN2STAT3STAT1MAPT
SCHEMBL2768720 0.72 KIT (0.48) HIF1ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL2768263 0.71 EPHX2 (0.49) HIF1ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL2769782 0.71 HPGD (0.52) HIF1AKCNA5SMN1; SMN2MAPTALDH1A1

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 1664/4885KCNA5 38/4885SMN1; SMN2 1349/4885

“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.