SCHEMBL4876238

SCHEMBL4876238

COCOC(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
P2RX7 Q99572 6/20 0.33
IDH1 O75874 3/20 0.33
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32
HCRTR2 O43614 1/20 0.32
NOTUM Q6P988 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6330433 0.71 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL4877486 0.70 MAPK14 (0.34) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL6328151 0.65 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL6337204 0.65 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL6333145 0.65 MAPK14 (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6328812 0.64 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL4878743 0.62 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL3557651 0.62 ALDH1A1 (0.43) P2RX7NOTUMKMT2A
SCHEMBL375276 0.61 NOTUM (0.44) P2RX7NOTUMKMT2A
SCHEMBL6335578 0.60 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11

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 MAPK14 13/4885MAPK13 12/4885MAPK12 28/4885

“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.