SCHEMBL2767484

SCHEMBL2767484

C=CCOc1ccc(CNc2noc3cc(F)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAP2K4 P45985 2/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 1/20 0.41
HTR1A P08908 4/20 0.40
DRD2 P14416 4/20 0.40
HTR2A P28223 4/20 0.40
USP10 Q14694 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
USP13 Q92995 1/20 0.39
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 1/20 0.37
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL3552916 0.81 EPHX2 (0.39) ALDH1A1MAP2K4EPHX2KDM4EHPGD
SCHEMBL2769642 0.74 EPHX2 (0.45) MAP2K4EPHX2FFAR1HTR1ADRD2
SCHEMBL2768550 0.74 EPHX2 (0.50) MAP2K4EPHX2USP10PIK3C3USP13
SCHEMBL2768610 0.73 EPHX2 (0.43) MAP2K4EPHX2DRD2USP10PIK3C3
SCHEMBL2768709 0.72 MEN1 (0.50) ALDH1A1SMN1; SMN2EPHX2KDM4EFFAR1
SCHEMBL2767372 0.72 EPHX2 (0.51) MAP2K4EPHX2DRD2HTR2AUSP10
SCHEMBL2768581 0.71 MAPT (0.55) ALDH1A1SMN1; SMN2MAP2K4EPHX2KDM4E
SCHEMBL2769470 0.71 EPHX2 (0.43) SMN1; SMN2MAP2K4EPHX2LMNACHRNA7
SCHEMBL2768789 0.69 EPHX2 (0.40) ALDH1A1SMN1; SMN2EPHX2KDM4EHPGD
SCHEMBL2768706 0.69 EPHX2 (0.46) MAP2K4EPHX2USP10PIK3C3USP13

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 8 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
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 ALDH1A1 1965/4885SMN1; SMN2 1349/4885MAP2K4 2511/4885

“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.