SCHEMBL2770366

SCHEMBL2770366

S=C(Nc1cccc2ccccc12)Nc1noc2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.50
EPHX2 P34913 1/20 0.49
KMT2A Q03164 7/20 0.48
GAA P10253 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 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
SCHEMBL2768259 0.86 EPHX2 (0.65) DUSP3EPHX2KMT2AGAAALDH1A1
SCHEMBL2768041 0.75 ALDH1A1 (0.53) KMT2AGAAALDH1A1MEN1MAPT
SCHEMBL2784590 0.73 TP53 (0.40) EPHX2KMT2AMEN1MAPTKDM4E
SCHEMBL2770371 0.73 MAPT (0.42) EPHX2KMT2AGAAALDH1A1MEN1
SCHEMBL1275812 0.73 KMT2A (0.72) DUSP3KMT2AGAAALDH1A1MEN1
SCHEMBL11059878 0.73 KMT2A (0.73) DUSP3KMT2AGAAALDH1A1MEN1
SCHEMBL2768775 0.73 ALDH1A1 (0.46) KMT2AGAAALDH1A1MAPTALOX12
SCHEMBL2771566 0.71 ALDH1A1 (0.50) EPHX2KMT2AGAAALDH1A1MEN1
SCHEMBL2772189 0.71 HIF1A (0.58) EPHX2KMT2AGAAALDH1A1MEN1
SCHEMBL2770639 0.70 MAPT (0.50) KMT2AGAAALDH1A1MEN1MAPT

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 DUSP3 4096/4885EPHX2 3694/4885KMT2A 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.