SCHEMBL2334700

SCHEMBL2334700

COCCN1C(=O)c2ccccc2C(C(=O)NC2CCCCC2)C1c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
ALDH1A1 P00352 4/20 0.61
NPSR1 Q6W5P4 2/20 0.58
MCHR1 Q99705 1/20 0.58
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
F2 P00734 1/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2339705 0.92 ALDH1A1 (0.60) TSHRALDH1A1NPSR1MCHR1CYP3A4
SCHEMBL2339707 0.92 ALDH1A1 (0.60) TSHRALDH1A1NPSR1MCHR1CYP3A4
SCHEMBL2333958 0.84 ALDH1A1 (0.70) TSHRALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL2377516 0.84 ALDH1A1 (0.53) TSHRALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL2331641 0.83 ALDH1A1 (0.54) TSHRALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL2334585 0.83 FFAR1 (0.54) TSHRALDH1A1NPSR1CYP3A4GAA
SCHEMBL2334153 0.82 ALDH1A1 (0.57) TSHRALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL2338418 0.81 LMNA (0.55) TSHRALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL2335881 0.81 CYP2C9 (0.51) TSHRALDH1A1NPSR1MCHR1CYP2C9
SCHEMBL2337616 0.81 CYP2C9 (0.53) TSHRALDH1A1NPSR1CYP3A4CYP2C9

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 4780/4885ALDH1A1 2613/4885NPSR1 4266/4885

“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.