SCHEMBL2963495

SCHEMBL2963495

O=C(NCCNc1nsc2ccccc12)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
NTRK1 P04629 2/20 0.41
SORT1 Q99523 1/20 0.40
PPARD Q03181 1/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
KCNA3 P22001 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR27 Q9NS67 1/20 0.39
TP53 P04637 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL2966927 0.90 EPHX2 (0.46) EPHX2MAPTSORT1KCNA3MEN1
SCHEMBL2972643 0.88 EPHX2 (0.46) EPHX2MAPTSORT1KCNA3MEN1
SCHEMBL2972959 0.87 NPC1 (0.49) MAPTKDM4EKCNA3KMT2ATP53
SCHEMBL2978054 0.87 EPHX2 (0.46) EPHX2MEN1KMT2ATP53
SCHEMBL2972437 0.85 MAPT (0.43) MAPTKDM4EKCNA3KMT2ATP53
SCHEMBL2969983 0.85 EPHX2 (0.55) EPHX2MAPTKCNA3TP53
SCHEMBL2963440 0.84 POLB (0.55) EPHX2AURKBALDH1A1TP53
SCHEMBL2963511 0.83 TACR1 (0.49) EPHX2MAPTKCNA3ALDH1A1TP53
SCHEMBL13202621 0.83 GAA (0.48) EPHX2MAPTTP53
SCHEMBL2965415 0.82 MAPT (0.45) EPHX2MAPTKDM4EMEN1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS EPHX2 3359/4885MAPT 2483/4885KDM4E 2196/4885

“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.