SCHEMBL2979617

SCHEMBL2979617

COc1cccc(NCCC(N)c2nsc3ccccc23)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
KDR P35968 1/20 0.36
TSPO P30536 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.35
HDAC1 Q13547 1/20 0.35
EPAS1 Q99814 3/20 0.34
GRM5 P41594 1/20 0.34
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
NTRK1 P04629 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2976524 0.85 ALDH1A1 (0.33) EPAS1HRH3KDM4EALDH1A1MAPT
SCHEMBL2969548 0.85 HSD17B10 (0.40) KDRGRM5HRH3KDM4EALDH1A1
SCHEMBL2966685 0.80 EPAS1 (0.40) HDAC1EPAS1MAPT
SCHEMBL5282195 0.78 KDR (0.36) TAAR1KDRTSPOCYP1A2CYP2C19
SCHEMBL13202693 0.77 EPAS1 (0.47) TAAR1KDRTSPOCYP1A2CYP2C19
SCHEMBL2978855 0.75 EPAS1 (0.37) KDREPAS1GRM5HRH1MAPT
SCHEMBL2977750 0.75 KMT2A (0.45) KDRCYP1A2CYP2C19HRH3KDM4E
SCHEMBL2961817 0.73 POLB (0.34) KDREPAS1KDM4EALDH1A1MAPT
SCHEMBL2977238 0.72 CHRM2 (0.47) TAAR1EPAS1KDM4EALDH1A1MAPT
SCHEMBL2976861 0.71 MAPT (0.47) EPAS1HRH1KDM4EALDH1A1MAPT

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 TAAR1 4191/4885KDR 4450/4885TSPO 1034/4885

“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.