SCHEMBL4877832

SCHEMBL4877832

O=c1ccc(C(=NO)c2ccc(F)cc2Cl)cn1-c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 2/20 0.35
P2RX7 Q99572 4/20 0.34
MAPK14 Q16539 5/20 0.33
MAPK13 O15264 4/20 0.33
MAPK12 P53778 4/20 0.33
MAPK11 Q15759 4/20 0.33
HPGD P15428 1/20 0.32
CYP2D6 P10635 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL4877829 1.00 HSD11B1 (0.37) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4876312 0.92 MAPK14 (0.39) RORCP2RX7MAPK14MAPK13MAPK12
SCHEMBL4876311 0.92 MAPK14 (0.39) RORCP2RX7MAPK14MAPK13MAPK12
SCHEMBL4878366 0.87 MAPK14 (0.35) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4878352 0.87 MAPK14 (0.35) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4874499 0.84 ALDH1A1 (0.42) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4868857 0.83 HSD11B1 (0.32) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4868860 0.83 HSD11B1 (0.32) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4873882 0.83 P2RX7 (0.35) HSD11B1KDM4EPOLBRORCP2RX7
SCHEMBL4873887 0.83 P2RX7 (0.35) HSD11B1KDM4EPOLBRORCP2RX7

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 HSD11B1 544/4885KDM4E 3574/4885POLB 2203/4885

“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.