SCHEMBL4876366

SCHEMBL4876366

CCOC(=O)C(C(=O)OCC)N1CCC(O/N=C(\c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.35
HSD11B1 P28845 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.32
CMA1 P23946 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4876368 1.00 MAPK14 (0.35) MAPK14HSD11B1HRH3TDP1ALDH1A1
SCHEMBL4876154 0.89 MAPK14 (0.41) MAPK14HSD11B1HRH3
SCHEMBL4876150 0.89 MAPK14 (0.41) MAPK14HSD11B1HRH3
SCHEMBL4869450 0.87 HSD11B1 (0.34) MAPK14HSD11B1HRH3P2RX7
SCHEMBL4869456 0.87 HSD11B1 (0.34) MAPK14HSD11B1HRH3P2RX7
SCHEMBL4877778 0.87 MAPK14 (0.38) MAPK14HSD11B1TDP1ALDH1A1
SCHEMBL4877782 0.87 MAPK14 (0.38) MAPK14HSD11B1TDP1ALDH1A1
SCHEMBL4876874 0.86 KMT2A (0.40) MAPK14HSD11B1MEN1KMT2AP2RX7
SCHEMBL4876884 0.86 KMT2A (0.40) MAPK14HSD11B1MEN1KMT2AP2RX7
SCHEMBL4868322 0.85 HSD11B1 (0.41) MAPK14HSD11B1MGLLKMT2AP2RX7

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 13/4885HSD11B1 544/4885HRH3 3264/4885

“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.