SCHEMBL4568528

SCHEMBL4568528

CCOc1cc2[nH]c(-c3ccc(F)cc3)c(Cc3cccc(C(=O)OC)n3)c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
CXCR2 P25025 6/20 0.41
GRM5 P41594 1/20 0.39
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 1/20 0.37
ALOX5 P09917 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
GSK3B P49841 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL4568524 0.92 GRM5 (0.39) MRGPRX4CXCR2GRM5PARP1MAPT
SCHEMBL4568521 0.92 CXCR2 (0.44) MRGPRX4CXCR2PARP1MAPTADORA2A
SCHEMBL4568525 0.92 MRGPRX4 (0.44) MRGPRX4GRM5PARP1MAPTPDE10A
SCHEMBL4568593 0.91 MRGPRX4 (0.41) MRGPRX4CXCR2MAPTPDE10A
SCHEMBL4568470 0.87 CXCR2 (0.42) MRGPRX4CXCR2PARP1MAPTADORA2A
SCHEMBL4568527 0.87 MRGPRX4 (0.41) MRGPRX4GRM5PARP1MAPTADORA2A
SCHEMBL4568518 0.86 CYP19A1 (0.42) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL4568520 0.86 MGAM (0.38) MRGPRX4GRM5PARP1MAPTADORA2A
SCHEMBL3711661 0.84 CXCR2 (0.42) MRGPRX4CXCR2MAPTPDE10A
SCHEMBL3711836 0.84 MRGPRX4 (0.44) MRGPRX4PARP1MAPTPDE10A

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MRGPRX4 273/4885CXCR2 1255/4885GRM5 534/4885

“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.