SCHEMBL2768259

SCHEMBL2768259

S=C(Nc1cccc2ccccc12)Nc1noc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.65
DUSP3 P51452 1/20 0.54
KMT2A Q03164 5/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.48

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
SCHEMBL2770366 0.86 DUSP3 (0.50) EPHX2DUSP3KMT2ANPC1RAB9A
SCHEMBL2771566 0.83 ALDH1A1 (0.50) EPHX2KMT2ANPC1RAB9AGAA
SCHEMBL2772189 0.83 HIF1A (0.58) EPHX2KMT2ANPC1RAB9AGAA
SCHEMBL2770755 0.80 EPHX2 (0.67) EPHX2KMT2AALDH1A1KDM4EMAPT
SCHEMBL2769368 0.80 POLB (0.49) EPHX2GAAKDM4EMAPTTP53
SCHEMBL1275812 0.80 KMT2A (0.72) DUSP3KMT2ANPC1RAB9AGAA
SCHEMBL2769319 0.80 ALDH1A1 (0.55) EPHX2KMT2ANPC1RAB9AGAA
SCHEMBL2770368 0.78 MAPT (0.52) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL2768684 0.78 SMN1; SMN2 (0.51) EPHX2KMT2AGAAALDH1A1MAPT
SCHEMBL2768602 0.76 TP53 (0.53) EPHX2KMT2AGAAALDH1A1MAPT

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 EPHX2 3694/4885DUSP3 4096/4885KMT2A 197/4885

“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.