SCHEMBL4497112

SCHEMBL4497112

O=C(O)c1cc(COc2ccc(F)cc2Cl)ccn1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.72
KDM4C Q9H3R0 2/20 0.55
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PPARA Q07869 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 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
SCHEMBL4509663 0.90 MRGPRX4 (0.62) MRGPRX4KDM4CCYP4F2CYP4A11KDM5A
SCHEMBL4510719 0.85 MRGPRX4 (0.66) MRGPRX4KDM4CCYP4F2CYP4A11KDM5A
SCHEMBL4504246 0.84 MRGPRX4 (0.56) MRGPRX4KDM4CNPC1RAB9AMEN1
SCHEMBL22480779 0.84 MRGPRX4 (1.00) MRGPRX4
SCHEMBL4512326 0.80 MRGPRX4 (0.63) MRGPRX4KDM4CCYP4F2CYP4A11KDM5A
SCHEMBL4491985 0.79 MRGPRX4 (0.62) MRGPRX4KDM4CCYP4F2CYP4A11KDM5A
SCHEMBL22480968 0.78 MRGPRX4 (0.76) MRGPRX4NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4501168 0.78 MAPT (0.60) MRGPRX4SMN1; SMN2MEN1KMT2A
SCHEMBL4507699 0.77 MRGPRX4 (0.83) MRGPRX4KDM4CCYP4F2CYP4A11KDM5A
SCHEMBL4500448 0.76 NR4A2 (0.61) MRGPRX4CYP4F2CYP4A11KDM5AKDM5B

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 1550/4885KDM4C 554/4885CYP4F2 416/4885

“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.