SCHEMBL4568525

SCHEMBL4568525

CCOc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(C(=O)OC)n3)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
GRM5 P41594 1/20 0.39
MGAM O43451 1/20 0.39
PARP1 P09874 1/20 0.38
MAPT P10636 3/20 0.38
PPARG P37231 2/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37

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
SCHEMBL4568528 0.92 MRGPRX4 (0.42) MRGPRX4GRM5PARP1MAPTPDE10A
SCHEMBL3705668 0.92 MRGPRX4 (0.43) MRGPRX4MGAMMAPTPPARG
SCHEMBL3711836 0.92 MRGPRX4 (0.44) MRGPRX4PARP1MAPTPDE10AKDM4E
SCHEMBL4568520 0.90 MGAM (0.38) MRGPRX4GRM5MGAMPARP1MAPT
SCHEMBL4568527 0.89 MRGPRX4 (0.41) MRGPRX4GRM5PARP1MAPTKDM4E
SCHEMBL4568451 0.88 PDE10A (0.46) MRGPRX4PARP1PDE10AKDM4EALDH1A1
SCHEMBL4568508 0.87 PDE10A (0.48) MAPTPPARGPDE10AKDM4EALDH1A1
SCHEMBL4568485 0.86 KDM4E (0.41) MRGPRX4PARP1MAPTPDE10AKDM4E
SCHEMBL4568472 0.86 MRGPRX4 (0.44) MRGPRX4PARP1MAPTPDE10AKDM4E
SCHEMBL4568097 0.85 TP53 (0.41) MGAMMAPTKDM4EALDH1A1HPGD

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 MRGPRX4 273/4885GRM5 534/4885MGAM 4713/4885

“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.