SCHEMBL2768006

SCHEMBL2768006

FC(F)(F)Oc1ccc(CNc2noc3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.72
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
KCNA5 P22460 1/20 0.47
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
NTRK1 P04629 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
MAPT P10636 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2769744 0.84 EPHX2 (1.00) EPHX2MAPK10KCNA5USP1WDR48
SCHEMBL2767372 0.84 EPHX2 (0.51) EPHX2MAPK8MAPK10CTNNB1TCF7L2
SCHEMBL2769062 0.82 EPHX2 (0.68) EPHX2KCNA5MAPTMEN1RAB9A
SCHEMBL2767423 0.81 EPHX2 (0.48) EPHX2MAPK8MAPK10CTNNB1TCF7L2
SCHEMBL2769324 0.81 EPHX2 (0.70) EPHX2KCNA5SMN1; SMN2MAPTRAB9A
SCHEMBL13180234 0.76 EPHX2 (0.64) EPHX2KCNA5SMN1; SMN2HTTMEN1
SCHEMBL3110555 0.74 APP (0.71) CTNNB1TCF7L2NTRK1MAPTMEN1
SCHEMBL2946729 0.74 KCNA5 (0.64) EPHX2KCNA5SMN1; SMN2ACHE
SCHEMBL3644043 0.73 FAAH (0.66) EPHX2
SCHEMBL6480126 0.73 SMN1; SMN2 (0.46) EPHX2CTNNB1TCF7L2NTRK1SMN1; 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 EPHX2 3694/4885MAPK8 2086/4885MAPK10 989/4885

“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.