SCHEMBL2963824

SCHEMBL2963824

NC(CCNc1cc(C(F)(F)F)ccn1)c1nsc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIOK2 Q9BVS4 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
IDH2 P48735 1/20 0.33
AURKA O14965 3/20 0.33
RPS6KB1 P23443 2/20 0.32
AURKB Q96GD4 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MAPK14 Q16539 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL2977609 0.84 RAB9A (0.42) EPHX2GAAHCRTR1HCRTR2
SCHEMBL2977750 0.84 KMT2A (0.45) ALDH1A1NOS2
SCHEMBL13202668 0.78 EPHX2 (0.48) EPHX2RIOK2CCNCCDK8DRD2
SCHEMBL2978910 0.78 POLB (0.37) EPHX2RPS6KB1
SCHEMBL2961817 0.74 POLB (0.34) MAPK1ALDH1A1L3MBTL1
SCHEMBL5243742 0.73 SIGMAR1 (0.47) MAPK1ALDH1A1GAADRD2
SCHEMBL2969548 0.73 HSD17B10 (0.40) MAPK1ALDH1A1L3MBTL1
SCHEMBL2976524 0.73 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL2972833 0.72 FDPS (0.38) MAPK1ALDH1A1L3MBTL1
SCHEMBL2972570 0.72 MPO (0.41) EPHX2ALDH1A1AURKARPS6KB1AURKB

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 5 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-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 3359/4885MAPK1 1959/4885ALDH1A1 227/4885

“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.