SCHEMBL2769975

SCHEMBL2769975

CCCCCCCCNC(=O)N(S)c1noc2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
NAAA Q02083 3/20 0.36
SSTR4 P31391 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ASAH1 Q13510 1/20 0.35
NPY1R P25929 1/20 0.35
RECQL P46063 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL2769902 1.00 EPHX2 (0.37) EPHX2NAAASSTR4HPGDMAPK1
SCHEMBL2769703 1.00 EPHX2 (0.37) EPHX2NAAASSTR4HPGDMAPK1
SCHEMBL2770296 0.99 SSTR4 (0.37) EPHX2NAAASSTR4HPGDMAPK1
SCHEMBL2770288 0.81 SSTR4 (0.39) SSTR4ALDH1A1
SCHEMBL2767451 0.78 ALDH1A1 (0.48) MAPK1ALDH1A1
SCHEMBL2769700 0.73 SMN1; SMN2 (0.49) EPHX2HPGDNPSR1ALDH1A1HTT
SCHEMBL2769971 0.73 SMN1; SMN2 (0.49) EPHX2HPGDNPSR1ALDH1A1HTT
SCHEMBL2769899 0.73 SMN1; SMN2 (0.49) EPHX2HPGDNPSR1ALDH1A1HTT
SCHEMBL4350070 0.72 NAAA (0.40) EPHX2NAAAHPGDEPHX1ALDH1A1
SCHEMBL2770294 0.71 SMN1; SMN2 (0.50) HPGDNPSR1ALDH1A1HTT

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 EPHX2 3694/4885NAAA 2198/4885SSTR4 3748/4885

“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.