SCHEMBL2979040

SCHEMBL2979040

CS(=O)(=O)c1ccc(C(=O)NCCCNc2nsc3ncccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
EPHX2 P34913 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
GAA P10253 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL2967147 0.85 KMT2A (0.57) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2979092 0.82 TRPV1 (0.50) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL2963816 0.81 NPC1 (0.47) KMT2AMEN1GAARAB9A
SCHEMBL2972800 0.80 KMT2A (0.50) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2967274 0.79 BRD4 (0.44) KMT2AALDH1A1RAB9A
SCHEMBL2973135 0.79 KMT2A (0.60) NAMPTKMT2AMEN1GAAALDH1A1
SCHEMBL2962075 0.79 TP53BP1 (0.49) HDAC1KMT2AMEN1
SCHEMBL13202612 0.78 TP53 (0.47) NAMPTHDAC3HDAC1EPHX2NR1H4
SCHEMBL2977056 0.77 POLB (0.46) HDAC1KMT2AGAAALDH1A1NPSR1
SCHEMBL2962576 0.76 PTAFR (0.44) NAMPTKMT2AMEN1ALDH1A1

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
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-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 NAMPT 124/4885HDAC3 928/4885HDAC1 604/4885

“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.