SCHEMBL2767902

SCHEMBL2767902

Oc1ccc(CNc2noc3cccc(Cl)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
EPHX2 P34913 1/20 0.43
KCNA5 P22460 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
SGMS1 Q86VZ5 2/20 0.38
SGMS2 Q8NHU3 2/20 0.38
EGFR P00533 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL2769623 0.76 P2RX7 (0.42) EPHX2KCNA5TP53ALDH1A1KMT2A
SCHEMBL2768967 0.73 KCNA5 (0.56) EPHX2KCNA5MAPTTP53KDM4E
SCHEMBL2773293 0.72 HPGD (0.51) MAPTGAAMEN1ALDH1A1ALOX12
SCHEMBL6991015 0.69 KDR (0.38) KCNA5TP53MEN1ALDH1A1KMT2A
SCHEMBL1478876 0.68 KCNA5 (0.73) EPHX2KCNA5TP53SGMS1SGMS2
SCHEMBL2768704 0.67 EPHX2 (0.40) EPHX2KCNA5TP53GAAKDM4E
SCHEMBL2441431 0.66 SMN1; SMN2 (0.43) KCNA5MAPTTP53GAAMEN1
SCHEMBL2769029 0.66 EPHX2 (0.60) EPHX2KCNA5ACHETP53GAA
SCHEMBL2438041 0.66 TP53 (0.54) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL2440986 0.65 SMN1; SMN2 (0.42) TP53KDM4EALDH1A1KMT2ASMN1; SMN2

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 10 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-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
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
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO 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 ESR1 2799/4885EPHX2 3694/4885KCNA5 38/4885

“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.