SCHEMBL4873923

SCHEMBL4873923

CN(C)CCCO/N=C(\c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
MET P08581 4/20 0.33
MAPK14 Q16539 2/20 0.32
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 2/20 0.31
WEE1 P30291 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
CACNA1H O95180 1/20 0.30

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
SCHEMBL4873925 1.00 ACHE (0.34) ACHEMETMAPK14HSD11B1KDM4E
SCHEMBL4868779 0.97 ACHE (0.34) ACHEMETHSD11B1KDM4EWEE1
SCHEMBL4868776 0.97 ACHE (0.34) ACHEMETHSD11B1KDM4EWEE1
SCHEMBL4875311 0.89 HSD11B1 (0.31) MAPK14HSD11B1KDM4EPOLBMAPK11
SCHEMBL4875306 0.89 HSD11B1 (0.31) MAPK14HSD11B1KDM4EPOLBMAPK11
SCHEMBL4877840 0.89 ESRRG (0.35) MAPK14WEE1MAPK13MAPK12MAPK11
SCHEMBL4877845 0.89 ESRRG (0.35) MAPK14WEE1MAPK13MAPK12MAPK11
SCHEMBL4877488 0.88 HSD11B1 (0.31) MAPK14HSD11B1KDM4EPOLBMAPK11
SCHEMBL4877490 0.88 HSD11B1 (0.31) MAPK14HSD11B1KDM4EPOLBMAPK11
SCHEMBL4878297 0.88 RXRA (0.33) MAPK14HSD11B1KDM4EPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 ACHE 2820/4885MET 889/4885MAPK14 13/4885

“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.