SCHEMBL4568524

SCHEMBL4568524

CCOc1cc2[nH]c(-c3ccc(F)cc3)c(Cc3cccc(C(=O)OC)n3)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
CXCR2 P25025 2/20 0.38
MAPT P10636 2/20 0.37
ADORA2A P29274 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
ALOX5 P09917 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
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TSPO P30536 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
SCHEMBL4568520 0.94 MGAM (0.38) GRM5MAPTADORA2AMRGPRX4KDM4E
SCHEMBL4568528 0.92 MRGPRX4 (0.42) GRM5CXCR2MAPTADORA2AMRGPRX4
SCHEMBL4568581 0.91 PDE10A (0.38) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL4568519 0.88 TUBB4A (0.40) GRM5MAPTADORA2AMRGPRX4KDM4E
SCHEMBL4568506 0.88 MTNR1A (0.41) GRM5ADORA2AMRGPRX4TUBB4ATUBB
SCHEMBL4568470 0.88 CXCR2 (0.42) CXCR2MAPTADORA2AMRGPRX4ALOX5
SCHEMBL4568518 0.87 CYP19A1 (0.42) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL4568521 0.86 CXCR2 (0.44) CXCR2MAPTADORA2AMRGPRX4ALOX5
SCHEMBL4568580 0.86 PPARG (0.41) MAPTPTGER1
SCHEMBL4568525 0.84 MRGPRX4 (0.44) GRM5MAPTMRGPRX4KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
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 GRM5 534/4885CXCR2 1255/4885MAPT 3199/4885

“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.