SCHEMBL4499452

SCHEMBL4499452

CCC(O)Cn1cc(NC(=O)c2cc(COc3ccccc3C(F)(F)F)ccn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 11/20 0.43
SCD O00767 5/20 0.42
SGMS2 Q8NHU3 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RIPK1 Q13546 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL4504473 0.88 ALDH1A1 (0.46) SCD5SCDMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL4492919 0.86 ALDH1A1 (0.51) SCD5SCDALDH1A1SMN1; SMN2
SCHEMBL4512260 0.85 SCD5 (0.45) SCD5CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL4515727 0.84 SCD5 (0.48) SCD5SCDCYP2C8CYP2C9CYP2B6
SCHEMBL4505841 0.83 MEN1 (0.43) CYP2C9CYP2C19MRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL4516523 0.81 SCD (0.51) SCD5SCDSGMS2CYP2C8CYP2B6
SCHEMBL4504477 0.81 SMN1; SMN2 (0.43) SCD5SCDCYP2C9CYP2C19MRGPRX4
Hydrochloric Acid SCHEMBL4518322 0.76 MRGPRX4 (0.46) SGMS2MRGPRX4ANO1
Trifluoroacetic Acid SCHEMBL4508314 0.75 SMN1; SMN2 (0.49) SCD5SCDMRGPRX4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4508956 0.75 SCD5 (0.52) SCD5SCDMRGPRX4ALDH1A1SMN1; SMN2

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 SCD5 2/4885SCD 1/4885SGMS2 173/4885

“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.