SCHEMBL2335328

SCHEMBL2335328

COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1c1sc(C)nc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.43
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 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
SCHEMBL2337782 0.86 GAA (0.56) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2340366 0.86 GAA (0.58) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2333435 0.85 GAA (0.59) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2336049 0.85 GAA (0.57) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2336094 0.84 GAA (0.67) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2335360 0.84 GAA (0.69) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2336153 0.84 GAA (0.64) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2334971 0.84 GAA (0.66) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2332401 0.83 GAA (0.57) GAACYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2337039 0.83 GAA (0.60) GAACYP2C9CYP2C19ALDH1A1KDM4E

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 4 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
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.