SCHEMBL4875271

SCHEMBL4875271

Cc1c(/C(=N\O)c2ccc(F)cc2Cl)ccc(=O)n1-c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
MAPK14 Q16539 16/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
KCNQ1 P51787 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL4875277 1.00 NOTUM (0.43) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL4910404 0.85 NOTUM (0.48) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL4876132 0.83 KCNJ5 (0.38) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL4876141 0.83 KCNJ5 (0.38) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL4873127 0.79 MAPK14 (0.41) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL4873135 0.79 MAPK14 (0.41) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL4877829 0.78 HSD11B1 (0.37) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL4877832 0.78 HSD11B1 (0.37) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL4873887 0.75 P2RX7 (0.35) NOTUMMAPK14KDM4EPOLB
SCHEMBL4873882 0.75 P2RX7 (0.35) NOTUMMAPK14KDM4EPOLB

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 NOTUM 1662/4885MAPK14 13/4885MAPK13 12/4885

“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.