SCHEMBL2979682

SCHEMBL2979682

CC(C)Oc1ccccc1-c1ccc(NC(=O)NCCCNc2nsc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
TP53 P04637 6/20 0.43
MAPT P10636 4/20 0.43
ABL1 P00519 5/20 0.42
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDR P35968 2/20 0.38
PDGFRB P09619 1/20 0.38
LMNA P02545 3/20 0.37
CSF1R P07333 1/20 0.37
FLT1 P17948 1/20 0.37
RPS6KB1 P23443 1/20 0.37
FLT3 P36888 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 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
SCHEMBL2977375 0.91 KDR (0.41) HTR3ATP53MAPTABL1POLB
SCHEMBL2977161 0.90 HTR3A (0.54) HTR3ATP53MAPTABL1POLB
SCHEMBL13202767 0.85 ALDH1A1 (0.44) TP53MAPTPOLBLMNANAMPT
SCHEMBL2962572 0.84 ABL1 (0.46) HTR3ATP53MAPTABL1POLB
SCHEMBL2976622 0.82 TP53 (0.47) TP53MAPTLMNA
SCHEMBL5352204 0.82 TP53 (0.36) TP53MAPTABL1POLBLMNA
SCHEMBL2963756 0.82 MAPT (0.47) TP53MAPTPOLBRXFP1LMNA
SCHEMBL2978633 0.79 TP53 (0.44) TP53MAPTSMN1; SMN2
SCHEMBL2977602 0.77 S1PR1 (0.47) TP53MAPTLMNASMN1; SMN2
SCHEMBL2971550 0.73 MAPT (0.44) TP53MAPTPOLBLMNASMN1; SMN2

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
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 HTR3A 4430/4885TP53 561/4885MAPT 2483/4885

“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.