SCHEMBL4500448

SCHEMBL4500448

O=C(O)c1cc(COc2cccc(F)c2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.61
MRGPRX4 Q96LA9 3/20 0.54
MAOB P27338 8/20 0.53
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
KDM5A P29375 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
MAOA P21397 2/20 0.49
PARP10 Q53GL7 1/20 0.48
ALKBH1 Q13686 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
SCHEMBL11766205 0.86 CYP4F2 (0.56) NR4A2MRGPRX4CYP4F2CYP4A11KDM5A
SCHEMBL4500253 0.84 RXRA (0.63) NR4A2MRGPRX4MAOBCYP4F2CYP4A11
SCHEMBL4501976 0.84 MRGPRX4 (0.55) NR4A2MRGPRX4MAOBMAOAPARP10
SCHEMBL4505531 0.83 MRGPRX4 (0.67) NR4A2MRGPRX4MAOBCYP4F2CYP4A11
SCHEMBL2424813 0.80 KMO (0.48) NR4A2KDM5AKDM5B
SCHEMBL11617562 0.77 P4HTM (0.60) NR4A2MAOBKDM5AKDM5B
SCHEMBL11173291 0.77 MRGPRX4 (0.63) NR4A2MRGPRX4
SCHEMBL4512326 0.77 MRGPRX4 (0.63) MRGPRX4CYP4F2CYP4A11KDM5AKDM5B
SCHEMBL4509663 0.76 MRGPRX4 (0.62) MRGPRX4CYP4F2CYP4A11KDM5AKDM5B
SCHEMBL4497112 0.76 MRGPRX4 (0.72) 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 NR4A2 1838/4885MRGPRX4 1550/4885MAOB 457/4885

“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.