SCHEMBL2333455

SCHEMBL2333455

COCCN1C(=O)c2ccccc2C(C(=O)Nc2ccc(Cl)c(Cl)c2)C1c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
FFAR1 O14842 2/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
NPSR1 Q6W5P4 4/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2340681 0.93 CYP2C9 (0.52) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL15960759 0.93 CYP2C9 (0.52) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2336737 0.93 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14722794 0.93 CYP2C9 (0.52) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2335941 0.91 CYP2C9 (0.53) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2339912 0.90 CYP2C9 (0.53) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2331641 0.89 ALDH1A1 (0.54) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2335500 0.88 CYP2C9 (0.54) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2336083 0.88 CYP2C9 (0.58) CYP2C9CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2337616 0.88 CYP2C9 (0.53) CYP2C9CYP2C19ALDH1A1KDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US claimed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP claimed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO claimed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 CYP2C9 2412/4885CYP2C19 2392/4885ALDH1A1 2613/4885

“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.