SCHEMBL2767896

SCHEMBL2767896

FC(F)(F)Sc1ccc(CNc2noc3ccc(Br)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
PTPRZ1 P23471 3/20 0.43
PTPN1 P18031 2/20 0.43
LMNA P02545 5/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNK2 O95069 2/20 0.36
KCNK10 P57789 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
USP10 Q14694 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
USP13 Q92995 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33

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
SCHEMBL2768924 0.87 EPHX2 (0.50) EPHX2PTPRZ1PTPN1LMNAEGFR
SCHEMBL2769324 0.83 EPHX2 (0.70) EPHX2PTPRZ1PTPN1SMN1; SMN2NR1H4
SCHEMBL1720758 0.80 EPHX2 (0.50) EPHX2PTPRZ1PTPN1EGFRNR1H4
SCHEMBL2768550 0.80 EPHX2 (0.50) EPHX2PTPRZ1PTPN1LMNANR1H4
SCHEMBL1721129 0.78 EPHX2 (0.50) EPHX2PTPRZ1PTPN1EGFRNR1H4
SCHEMBL1721505 0.73 EPHX2 (0.47) EPHX2PTPRZ1PTPN1SMN1; SMN2AURKA
SCHEMBL1721240 0.73 EPHX2 (0.47) EPHX2PTPRZ1PTPN1SMN1; SMN2EGFR
SCHEMBL1721575 0.72 PTPRZ1 (0.43) EPHX2PTPRZ1PTPN1LMNASMN1; SMN2
SCHEMBL1720781 0.72 EPHX2 (0.44) EPHX2PTPRZ1PTPN1HTTMEN1
SCHEMBL1720776 0.72 PTPRZ1 (0.44) EPHX2PTPRZ1PTPN1LMNASMN1; 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 3694/4885PTPRZ1 3977/4885PTPN1 4513/4885

“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.