SCHEMBL2335774

SCHEMBL2335774

COCCN1C(=O)c2cc(OC)ccc2C(C(=O)Nc2cccc(OC)c2)C1c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2332376 0.94 CYP2C9 (0.51) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2333537 0.94 GAA (0.50) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2379561 0.94 GAA (0.60) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2337039 0.94 GAA (0.60) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2379425 0.94 GAA (0.60) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2336309 0.93 GAA (0.49) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2364396 0.93 GAA (0.49) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2334173 0.93 GAA (0.49) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2339357 0.93 CYP3A4 (0.57) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2331337 0.91 GAA (0.47) GAACYP2C9CYP2C19CYP3A4SMN1; SMN2

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 GAA 2348/4885CYP2C9 2412/4885CYP2C19 2392/4885

“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.