SCHEMBL4499573

SCHEMBL4499573

CCOC(=O)c1cc(COc2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.53
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40

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
SCHEMBL4499558 0.85 MRGPRX4 (0.50) MRGPRX4MAPTNPC1RAB9AALDH1A1
SCHEMBL4510659 0.84 MRGPRX4 (0.65) MRGPRX4RXRARXRBRXRGPPARG
SCHEMBL4517687 0.82 MAPT (0.63) MRGPRX4RXRARXRBMAPTNPC1
SCHEMBL4505947 0.81 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL4499409 0.80 MRGPRX4 (0.63) MRGPRX4MAPTNPC1RAB9AALDH1A1
SCHEMBL4504246 0.77 MRGPRX4 (0.56) MRGPRX4MAPTNPC1RAB9AALDH1A1
SCHEMBL29537205 0.75 GAA (0.59) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL20944365 0.75 GAA (0.59) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL4492301 0.74 MRGPRX4 (0.50) MRGPRX4MAPTNPC1RAB9AALDH1A1
SCHEMBL4501976 0.74 MRGPRX4 (0.55) MRGPRX4MAPTKDM4ECYP1A2GABRA1

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 1550/4885RXRA 2808/4885RXRB 1875/4885

“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.