SCHEMBL2969680

SCHEMBL2969680

O=C(NCCNc1nsc2ccccc12)c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CFD P00746 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
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
FYN P06241 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2969681 0.91 KCNA3 (0.49) CDK4CCND1EPHX2NR1H4HDAC1
SCHEMBL2974074 0.90 HTR1A (0.51) MAPTALDH1A1MAPK1HTR1ADRD2
SCHEMBL2973219 0.90 SIRT2 (0.47) CDK4CCND1MAPTALDH1A1MAPK1
SCHEMBL2977869 0.90 ALDH1A1 (0.54) CDK4CCND1MAPTALDH1A1MAPK1
SCHEMBL2966982 0.90 EPHX2 (0.47) CDK4CCND1EPHX2HDAC1HDAC6
SCHEMBL2973242 0.89 MAPT (0.45) HDAC1HDAC6HDAC2HDAC8MAPT
SCHEMBL2976595 0.89 ALDH1A1 (0.47) CDK4CCND1MAPTALDH1A1MAPK1
SCHEMBL2976082 0.88 MAPT (0.44) HDAC1HDAC6HDAC2HDAC8MAPT
SCHEMBL2964318 0.87 FYN (0.51) MAPTALDH1A1FYNTP53LMNA
SCHEMBL2977763 0.86 CD274 (0.46) HDAC2MAPTALDH1A1MAPK1TP53

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 CDK4 109/4885CCND1 203/4885EPHX2 3359/4885

“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.