SCHEMBL2970768

SCHEMBL2970768

COC(=O)c1ccc(NCCNc2nsc3ccccc23)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.46
HCAR3 P49019 5/20 0.44
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.40
EPAS1 Q99814 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 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
SCHEMBL2969561 0.86 MAPK1 (0.46) TP53SMN1; SMN2MAPTMAPK1EPAS1
SCHEMBL2974715 0.82 TP53 (0.53) TP53SMN1; SMN2MAPT
SCHEMBL5293311 0.77 EPAS1 (0.52) TP53MAPTEPAS1
SCHEMBL2979128 0.75 MAPT (0.38) TP53SMN1; SMN2MAPTEPAS1KDM4E
SCHEMBL13202776 0.74 EPAS1 (0.59) SMN1; SMN2MAPTMAPK1EPAS1KDM4E
SCHEMBL29915585 0.74 HDAC6 (0.52) GABRA5TP53SMN1; SMN2MAPTMAPK1
SCHEMBL31522390 0.74 HDAC6 (0.52) GABRA5TP53SMN1; SMN2MAPTMAPK1
SCHEMBL22032474 0.74 HDAC6 (0.52) GABRA5TP53SMN1; SMN2MAPTMAPK1
SCHEMBL2977760 0.74 EPAS1 (0.54) TP53SMN1; SMN2MAPTEPAS1
SCHEMBL12541738 0.74 GABRA5 (0.54) GABRA5HCAR3SMN1; SMN2MAPK1KDM4E

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 GABRA5 1344/4885HCAR3 4581/4885TP53 561/4885

“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.