SCHEMBL2969381

SCHEMBL2969381

O=C(NCCNc1nsc2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
SRC P12931 1/20 0.49
MAPK14 Q16539 1/20 0.49
AURKB Q96GD4 3/20 0.49
SLC6A3 Q01959 1/20 0.46
RAF1 P04049 1/20 0.46
CDK8 P49336 1/20 0.43
KCNA3 P22001 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 1/20 0.41
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2979114 0.87 HPGD (0.54) KCNA3TP53MAPTPOLBHPGD
SCHEMBL2977086 0.87 KCNA3 (0.44) KCNA3TP53MAPTHTT
SCHEMBL2969983 0.85 EPHX2 (0.55) MAPK14KCNA3TP53MAPT
SCHEMBL2963511 0.83 TACR1 (0.49) KCNA3TP53MAPTPOLB
SCHEMBL2978054 0.83 EPHX2 (0.46) TP53HPGD
SCHEMBL2966986 0.83 CYP3A4 (0.48) ABL1BCRKCNA3TP53MAPT
SCHEMBL2978053 0.82 TP53 (0.47) KCNA3TP53MAPTPOLBSMN1; SMN2
SCHEMBL2963440 0.82 POLB (0.55) ABL1BCRAURKBTP53POLB
SCHEMBL2965415 0.82 MAPT (0.45) TP53MAPT
SCHEMBL2976891 0.82 EPAS1 (0.52) KCNA3TP53MAPT

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 ABL1 40/4885BCR 1916/4885SRC 1377/4885

“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.