SCHEMBL2334708

SCHEMBL2334708

COCCN1C(=O)c2ccccc2C(C(=O)Nc2ccc(Cl)cc2N)C1c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 2/20 0.46
MDM2 Q00987 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 4/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.40
ALOX15 P16050 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 2/20 0.38

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
SCHEMBL2339027 0.94 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2336395 0.87 GAA (0.45) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2377689 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2335941 0.87 CYP2C9 (0.53) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2339912 0.86 CYP2C9 (0.53) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2336737 0.84 CYP2C9 (0.56) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2337250 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2330733 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2335428 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL2334371 0.83 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 3 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 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 2613/4885KDM4E 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.