SCHEMBL2967293

SCHEMBL2967293

O=C(NCCCNc1nsc2ncccc12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
NAMPT P43490 5/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
SYK P43405 1/20 0.44
BRD4 O60885 2/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
HTR2C P28335 1/20 0.41
CFTR P13569 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
FYN P06241 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL2973135 0.89 KMT2A (0.60) MCHR1NAMPTKMT2AMEN1TDP1
SCHEMBL2962075 0.83 TP53BP1 (0.49) KMT2AMEN1TDP1HDAC1CFTR
SCHEMBL2972800 0.82 KMT2A (0.50) MCHR1KMT2AMEN1TDP1CFTR
SCHEMBL2978905 0.81 HCRTR1 (0.40) HDAC3BRD4CFTR
SCHEMBL2977522 0.80 SIRT2 (0.49) KMT2AMEN1TDP1HDAC3HDAC1
SCHEMBL2967147 0.79 KMT2A (0.57) KMT2AMEN1TDP1CFTR
SCHEMBL2962576 0.78 PTAFR (0.44) NAMPTKMT2AMEN1TDP1SYK
SCHEMBL2977273 0.76 CNR2 (0.38)
SCHEMBL2967274 0.76 BRD4 (0.44) KMT2ABRD4
SCHEMBL2977056 0.76 POLB (0.46) KMT2ATDP1HDAC1

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 MCHR1 4570/4885NAMPT 124/4885KMT2A 2900/4885

“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.