SCHEMBL2979186

SCHEMBL2979186

O=C(CNC(=O)c1ccccc1)NCCNc1nsc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
CSNK1D P48730 1/20 0.46
TP53 P04637 4/20 0.45
MAPT P10636 3/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
EPAS1 Q99814 1/20 0.42
LMNA P02545 2/20 0.41
GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL2974074 0.91 HTR1A (0.51) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2968325 0.87 KCNA3 (0.49) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2968393 0.85 KCNA3 (0.50) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2969681 0.84 KCNA3 (0.49) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2973242 0.83 MAPT (0.45) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2976082 0.82 MAPT (0.44) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2974715 0.82 TP53 (0.53) KCNA3TP53MAPTKMT2AMEN1
SCHEMBL2969680 0.82 CDK4 (0.50) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2978053 0.82 TP53 (0.47) KCNA3TP53MAPTKMT2AMEN1
SCHEMBL2979497 0.82 LMNA (0.56) KCNA3TP53MAPTKMT2AMEN1

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
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 KCNA3 4492/4885CSNK1D 3664/4885TP53 561/4885

“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.