SCHEMBL2965765

SCHEMBL2965765

COc1cccc(-c2ccc(C(=O)NCCNc3nsc4ccccc34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 3/20 0.52
CLK4 Q9HAZ1 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 4/20 0.50
MAPT P10636 2/20 0.50
PTAFR P25105 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EPAS1 Q99814 1/20 0.49
ROCK2 O75116 1/20 0.48
CYP2C9 P11712 1/20 0.48
PRKACA P17612 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48

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
SCHEMBL2977869 0.91 ALDH1A1 (0.54) CYP3A4CYP2D6CLK4CYP1A2CYP2C19
SCHEMBL2977503 0.91 NPC1 (0.52) CYP3A4CYP1A2CYP2C19TP53MAPT
SCHEMBL2977760 0.88 EPAS1 (0.54) CYP3A4CYP1A2CYP2C19TP53MAPT
SCHEMBL2977071 0.88 ALDH1A1 (0.53) CYP3A4CYP2D6CYP1A2TP53MAPT
SCHEMBL2966783 0.87 SMN1; SMN2 (0.51) TP53MAPTPTAFRALDH1A1LMNA
SCHEMBL2969681 0.87 KCNA3 (0.49) TP53MAPTLMNAPOLBRAB9A
SCHEMBL2978892 0.86 KMT2A (0.48) CYP3A4CYP1A2CYP2C19TP53MAPT
SCHEMBL2964318 0.85 FYN (0.51) TP53MAPTALDH1A1LMNAHSD17B10
SCHEMBL2969680 0.85 CDK4 (0.50) TP53MAPTALDH1A1LMNA
SCHEMBL2979187 0.84 KMT2A (0.51) TP53MAPTPTAFRALDH1A1POLB

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 CYP3A4 708/4885CYP2D6 1475/4885CLK4 2351/4885

“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.