SCHEMBL4496913

SCHEMBL4496913

O=C(O)c1cc(COc2cc(C(F)(F)F)ccc2F)ccn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.73
PTGER1 P34995 1/20 0.53
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
KDM5A P29375 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM5B Q9UGL1 1/20 0.44
NR4A2 P43354 1/20 0.43

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
SCHEMBL4507699 0.87 MRGPRX4 (0.83) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL4505947 0.86 MRGPRX4 (0.55) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL22480779 0.84 MRGPRX4 (1.00) MRGPRX4
SCHEMBL4512326 0.81 MRGPRX4 (0.63) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL4505531 0.79 MRGPRX4 (0.67) MRGPRX4PTGER1NR4A2
SCHEMBL4510659 0.78 MRGPRX4 (0.65) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL1333232 0.76 HTR2C (0.58) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL4504753 0.75 SMN1; SMN2 (0.49) MRGPRX4
SCHEMBL4499409 0.74 MRGPRX4 (0.63) MRGPRX4
SCHEMBL29537506 0.73 KDM4E (0.55) MRGPRX4PTGER1KDM5AKDM4CKDM5B

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 3083/4885RXRA 2808/4885

“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.