SCHEMBL2332665

SCHEMBL2332665

COCCN1C(=O)c2ccccc2C(C(=O)Nc2nc(C(C)(C)C)cs2)C1c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 5/20 0.45
NPC1 O15118 3/20 0.45
ALOX15 P16050 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 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
SCHEMBL2335021 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2331641 0.83 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2335206 0.83 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2334178 0.83 MAPT (0.47) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2337616 0.83 CYP2C9 (0.53) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2334590 0.82 CYP2C9 (0.47) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2334897 0.82 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2333907 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2336022 0.81 KDM4E (0.50) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL2330554 0.81 CYP2C9 (0.53) ALDH1A1MAPTKDM4EHTTNPSR1

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 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.