SCHEMBL2338017

SCHEMBL2338017

COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 7/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
F2 P00734 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 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
SCHEMBL2333442 0.87 GAA (0.63) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2333638 0.85 GAA (0.61) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2337658 0.85 GAA (0.60) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2332248 0.84 GAA (0.57) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2335360 0.84 GAA (0.69) GAACYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2338936 0.84 GAA (0.59) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2337270 0.84 GAA (0.59) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2336153 0.84 GAA (0.64) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2336094 0.84 GAA (0.67) GAACYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL2337282 0.83 GAA (0.58) GAACYP2C9CYP2C19SMN1; SMN2ALDH1A1

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.