SCHEMBL2336610

SCHEMBL2336610

COCCN1C(=O)c2ccccc2C(C(=O)N2CCN(c3cccc(OC)c3)CC2)C1c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 5/20 0.54
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTR7 P34969 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A9 P48067 1/20 0.42
HTR1A P08908 2/20 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
SCHEMBL2333692 0.83 TSHR (0.55) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL2379425 0.80 GAA (0.60) ALDH1A1TSHRKDM4ESMN1; SMN2MEN1
SCHEMBL2337039 0.80 GAA (0.60) ALDH1A1TSHRKDM4ESMN1; SMN2MEN1
SCHEMBL2379561 0.80 GAA (0.60) ALDH1A1TSHRKDM4ESMN1; SMN2MEN1
SCHEMBL2335363 0.80 CYP2C9 (0.51) ALDH1A1TSHRKDM4EHSD17B10MEN1
SCHEMBL2333143 0.80 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL2339360 0.80 TSHR (0.43) ALDH1A1TSHRKDM4EHSD17B10MEN1
SCHEMBL2332851 0.79 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHSD17B10MEN1
SCHEMBL2334585 0.78 FFAR1 (0.54) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL2377516 0.77 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2

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 ALDH1A1 2613/4885TSHR 4780/4885KDM4E 2120/4885

“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.