SCHEMBL4507699

SCHEMBL4507699

O=C(O)c1cc(COc2cc(C(F)(F)F)ccc2Cl)ccn1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.83
PTGER1 P34995 1/20 0.52
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL22480779 0.91 MRGPRX4 (1.00) MRGPRX4
SCHEMBL4496913 0.87 MRGPRX4 (0.73) MRGPRX4PTGER1KDM5AKDM4CKDM5B
SCHEMBL4499409 0.86 MRGPRX4 (0.63) MRGPRX4
SCHEMBL4509663 0.84 MRGPRX4 (0.62) MRGPRX4KDM5AKDM4CKDM5BRXRA
SCHEMBL4491985 0.84 MRGPRX4 (0.62) MRGPRX4PTGER1KDM5AKDM4CKDM5B
SCHEMBL4510719 0.80 MRGPRX4 (0.66) MRGPRX4KDM5AKDM4CKDM5BRXRA
SCHEMBL4505531 0.78 MRGPRX4 (0.67) MRGPRX4PTGER1CYP4F2CYP4A11
SCHEMBL4497112 0.77 MRGPRX4 (0.72) MRGPRX4KDM5AKDM4CKDM5BCYP4F2
SCHEMBL4510659 0.77 MRGPRX4 (0.65) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL4504876 0.75 MRGPRX4 (0.49) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS MRGPRX4 1550/4885PTGER1 3083/4885KDM5A 296/4885

“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.