SCHEMBL2967902

SCHEMBL2967902

COc1ccc(-c2ccc(CNCCC(N)c3nsc4ccc(Br)cc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
HTR2A P28223 2/20 0.38
CHRM2 P08172 1/20 0.37
TP53 P04637 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL2968869 0.92 MAPK1 (0.41) MAPK1NPSR1GAAMITFLMNA
SCHEMBL2968305 0.89 MEN1 (0.41) MAPK1NPSR1GAAMITFLMNA
SCHEMBL2978673 0.86 MEN1 (0.42) MAPK1NPSR1GAAMITFLMNA
SCHEMBL2969567 0.86 KMT2A (0.43) MAPK1NPSR1GAAMITFLMNA
SCHEMBL2972698 0.86 MAPK1 (0.43) MAPK1NPSR1GAAMITFLMNA
Ammonia Solution, Strong SCHEMBL3073202 0.84 MAOB (0.37) MEN1KMT2A
SCHEMBL2977514 0.80 CASR (0.41) HTTMEN1KMT2AHTR2ACHRM2
SCHEMBL13202773 0.78 CHRM2 (0.43) GAAMEN1KMT2AHTR2ACHRM2
SCHEMBL2970291 0.78 MEN1 (0.39) MAPK1NPSR1GAAMITFLMNA
SCHEMBL2967927 0.78 MEN1 (0.39) MAPK1NPSR1GAAMITFLMNA

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 MAPK1 1959/4885NPSR1 4291/4885GAA 405/4885

“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.