SCHEMBL2333692

SCHEMBL2333692

COCCN1C(=O)c2ccccc2C(C(=O)N2CCC(C)CC2)C1c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
FFAR1 O14842 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL2333143 0.89 ALDH1A1 (0.61) TSHRKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL2339707 0.84 ALDH1A1 (0.60) TSHRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL2339705 0.84 ALDH1A1 (0.60) TSHRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL2334585 0.83 FFAR1 (0.54) TSHRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL2336610 0.83 ALDH1A1 (0.58) TSHRKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL2335240 0.83 ALOX15 (0.61) TSHRKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL2377516 0.83 ALDH1A1 (0.53) TSHRKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL14424907 0.81 ALOX15 (0.64) TSHRKDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL2333958 0.79 ALDH1A1 (0.70) TSHRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL2334700 0.79 TSHR (0.61) TSHRKDM4EALDH1A1CYP3A4MAPT

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 TSHR 4780/4885KDM4E 2120/4885HSD17B10 1021/4885

“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.