SCHEMBL2338418

SCHEMBL2338418

COCCN1C(=O)c2ccccc2C(C(=O)NCC2CCCO2)C1c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 3/20 0.48
ALOX15 P16050 2/20 0.47
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL2333958 0.84 ALDH1A1 (0.70) ALDH1A1NPSR1MAPTKDM4EHTT
SCHEMBL14425744 0.83 LMNA (0.57) LMNAMAPK1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2331588 0.83 ALDH1A1 (0.76) ALDH1A1NPSR1MAPTKDM4EHTT
SCHEMBL14424798 0.83 MAPK1 (0.79) LMNAMAPK1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2334700 0.81 TSHR (0.61) ALDH1A1NPSR1MAPTKDM4EHTT
SCHEMBL2334153 0.81 ALDH1A1 (0.57) ALDH1A1NPSR1MAPTKDM4EHTT
SCHEMBL2377516 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2MAPTKDM4E
SCHEMBL2332655 0.79 ALDH1A1 (0.69) MAPK1ALDH1A1NPSR1MAPTKDM4E
SCHEMBL2331641 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1MAPTKDM4EHTT
SCHEMBL2339705 0.79 ALDH1A1 (0.60) LMNAALDH1A1NPSR1MAPTKDM4E

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 LMNA 3790/4885MAPK1 2096/4885ALDH1A1 2613/4885

“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.