SCHEMBL4499409

SCHEMBL4499409

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.63
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4505947 0.88 MRGPRX4 (0.55) MRGPRX4ALDH1A1GAAL3MBTL1MAOB
SCHEMBL4507699 0.86 MRGPRX4 (0.83) MRGPRX4
SCHEMBL4492301 0.86 MRGPRX4 (0.50) MRGPRX4ALDH1A1GAANPC1MAPT
SCHEMBL4517687 0.83 MAPT (0.63) MRGPRX4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL4504246 0.80 MRGPRX4 (0.56) MRGPRX4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL4499573 0.80 MRGPRX4 (0.53) MRGPRX4ALDH1A1GAAL3MBTL1NPC1
SCHEMBL29537205 0.78 GAA (0.59) ALDH1A1GAAL3MBTL1MAOBMAPT
SCHEMBL20944365 0.78 GAA (0.59) ALDH1A1GAAL3MBTL1MAOBMAPT
SCHEMBL22480779 0.77 MRGPRX4 (1.00) MRGPRX4
SCHEMBL31568429 0.77 MRGPRX4 (0.64) 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 1550/4885ALDH1A1 1311/4885GAA 1060/4885

“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.