SCHEMBL2335240

SCHEMBL2335240

COCCN1C(=O)c2ccccc2C(C(=O)NCCCN2CCC(C)CC2)C1c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.61
ALDH1A1 P00352 7/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 3/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2333958 0.86 ALDH1A1 (0.70) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL14425444 0.84 ALOX15 (0.65) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2339707 0.83 ALDH1A1 (0.60) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2339705 0.83 ALDH1A1 (0.60) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2333692 0.83 TSHR (0.55) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL14424984 0.83 ALOX15 (0.87) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2338413 0.82 ALDH1A1 (0.61) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2334153 0.81 ALDH1A1 (0.57) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2331588 0.79 ALDH1A1 (0.76) ALOX15ALDH1A1MAPTKDM4EHTT
SCHEMBL2334700 0.79 TSHR (0.61) ALDH1A1MAPTKDM4EHTTTSHR

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 6 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
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 ALOX15 2141/4885ALDH1A1 2613/4885MAPT 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.