SCHEMBL4500253

SCHEMBL4500253

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.63
RXRB P28702 2/20 0.63
RXRG P48443 2/20 0.63
NR4A2 P43354 3/20 0.61
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
MRGPRX4 Q96LA9 4/20 0.52
PKM P14618 1/20 0.50
KDM5A P29375 1/20 0.48
KDM5B Q9UGL1 1/20 0.48

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) NR4A2KDM4CCYP4F2CYP4A11MRGPRX4
SCHEMBL4500448 0.84 NR4A2 (0.61) NR4A2MAOBMAOACYP4F2CYP4A11
SCHEMBL4508058 0.84 MAOB (0.51) RXRARXRBRXRGNR4A2MAOB
SCHEMBL4505531 0.81 MRGPRX4 (0.67) NR4A2MAOBCYP4F2CYP4A11MRGPRX4
SCHEMBL4491985 0.78 MRGPRX4 (0.62) NPC1RAB9AKDM4CCYP4F2CYP4A11
SCHEMBL8106373 0.78 RXRA (0.66) RXRARXRBRXRGNR4A2MAOB
SCHEMBL694229 0.77 RXRA (1.00) RXRARXRBRXRGNR4A2MAOB
SCHEMBL11617562 0.77 P4HTM (0.60) NR4A2MAOBCYP1A2CYP2C9KDM4C
SCHEMBL4492876 0.77 MAPT (0.52) RXRARXRBRXRGNR4A2MAOB
SCHEMBL4510719 0.77 MRGPRX4 (0.66) RXRARXRBNPC1RAB9AKDM4C

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 RXRA 2808/4885RXRB 1875/4885RXRG 2206/4885

“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.