SCHEMBL2977289

SCHEMBL2977289

NCCNc1nsc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 9/20 0.53
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ACHE P22303 1/20 0.45
EPHX2 P34913 1/20 0.44
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
FERMT2 Q96AC1 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6108893 0.90 EPAS1 (0.50) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL13202776 0.89 EPAS1 (0.59) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL13202796 0.86 EPAS1 (0.56) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL21336655 0.81 EPAS1 (0.65) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL7085876 0.80 EPAS1 (0.46) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3854234 0.79 SMN1; SMN2 (0.51) EPAS1ACHE
Etisazole SCHEMBL30496100 0.79 EPAS1 (0.56) EPAS1ALDH1A1HSD17B10KDM4EMAPT
Etisazole SCHEMBL2109479 0.79 EPAS1 (0.56) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10504446 0.76 EPAS1 (0.61) EPAS1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL9066324 0.75 EPAS1 (0.51) EPAS1ALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPAS1 917/4885ALDH1A1 227/4885HSD17B10 1104/4885

“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.