SCHEMBL2333755

SCHEMBL2333755

COCCN1C(=O)c2ccccc2C(C(=O)Nc2nc3ccc(OC)cc3s2)C1c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 3/20 0.62
HTT P42858 1/20 0.62
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 2/20 0.56
SCD O00767 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FFAR1 O14842 1/20 0.47
POLB P06746 1/20 0.47
ITK Q08881 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL2333699 0.84 KDM4E (0.52) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2337037 0.83 CYP2C9 (0.73) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2330973 0.79 CYP2C9 (0.67) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2335045 0.79 CYP2C9 (0.67) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2331894 0.78 CASP3 (0.47) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2334762 0.77 CYP2C9 (0.64) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2334971 0.77 GAA (0.66) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2336094 0.76 GAA (0.67) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2336049 0.75 GAA (0.57) ALDH1A1MAPTKDM4EHTTCYP2C19
SCHEMBL2333420 0.75 ALDH1A1 (0.75) ALDH1A1MAPTKDM4EHTTCYP2C19

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 8 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
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
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 ALDH1A1 2613/4885MAPT 3706/4885KDM4E 2120/4885

“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.