SCHEMBL2969449

SCHEMBL2969449

FC(F)(F)c1ccc(NCCCNc2nsc3ccccc23)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
METAP1 P53582 1/20 0.43
EPAS1 Q99814 3/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
NPY5R Q15761 1/20 0.36
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 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
SCHEMBL13202668 0.83 EPHX2 (0.48) EPHX2EPAS1FYNDRD2ADRA1A
SCHEMBL2969953 0.82 EPAS1 (0.45) EPHX2EPAS1
SCHEMBL2977782 0.81 EPHX2 (0.53) EPHX2EPAS1
SCHEMBL13202796 0.79 EPAS1 (0.56) EPHX2EPAS1
SCHEMBL5293311 0.79 EPAS1 (0.52) EPAS1
SCHEMBL2977528 0.79 GSK3B (0.42) EPAS1
SCHEMBL2977609 0.78 RAB9A (0.42) EPHX2NPC1RAB9AMETAP1PRKAB2
SCHEMBL2967303 0.76 EPHX2 (0.52) EPHX2DRD2
SCHEMBL13202688 0.76 EPHX2 (0.45) EPHX2EPAS1DRD2ADRA1ADRD3
SCHEMBL2979128 0.75 MAPT (0.38) EPHX2EPAS1

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 7 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
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS EPHX2 3359/4885NPC1 242/4885RAB9A 4073/4885

“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.