SCHEMBL2339975

SCHEMBL2339975

CCOC(=O)c1nnc(NC(=O)C2c3ccccc3C(=O)N(CCOC)C2c2cccs2)o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2334540 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2331735 0.84 TSHR (0.48) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2334897 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2331595 0.82 CYP2C9 (0.49) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2331641 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2337616 0.80 CYP2C9 (0.53) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2337160 0.80 KDM4E (0.48) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2331488 0.80 TSHR (0.58) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2337641 0.80 CYP2C9 (0.48) ALDH1A1KDM4EMAPTHTTCYP2C9
SCHEMBL2377516 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHTTCYP2C9

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
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

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 2613/4885KDM4E 2120/4885MAPT 3706/4885

“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.