SCHEMBL2332697

SCHEMBL2332697

COCCC/N=C\c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.48
GAA P10253 4/20 0.47
ALDH1A1 P00352 4/20 0.47
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
G6PC1 P35575 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL2332699 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL12245585 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL12245583 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL2336250 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL2336247 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL14196497 0.81 GAA (0.54) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL4255365 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL4255366 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL10885020 0.74 LMNA (0.50) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL24068006 0.73 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9ALMNAGAA

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 3 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 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 SMN1; SMN2 4405/4885NPC1 858/4885RAB9A 1826/4885

“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.