SCHEMBL2770372

SCHEMBL2770372

O=C(Nc1ccccc1[N+](=O)[O-])N(S)c1noc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNMA1 Q12791 1/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PHGDH O43175 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2768335 0.82 HIF1A (0.48) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2768263 0.81 EPHX2 (0.49) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2772191 0.81 HIF1A (0.60) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2770757 0.78 EPHX2 (0.52) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2769370 0.78 MAPT (0.41) KMT2AMAPTHIF1A
SCHEMBL2769321 0.78 HIF1A (0.56) NPC1RAB9AHIF1AALDH1A1SMN1; SMN2
SCHEMBL2768687 0.75 HIF1A (0.41) NPC1MAPTRAB9AHIF1ASMN1; SMN2
SCHEMBL2768067 0.74 SSTR4 (0.40) NPC1MAPTRAB9AHIF1ASMN1; SMN2
SCHEMBL2771191 0.74 SMN1; SMN2 (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2770368 0.73 MAPT (0.52) MEN1KMT2ANPC1MAPTRAB9A

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 MEN1 3801/4885KMT2A 197/4885KCNMA1 20/4885

“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.