SCHEMBL4515727

SCHEMBL4515727

O=C(Nc1cnn(Cc2ccccn2)c1)c1cc(COc2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 13/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SCD O00767 8/20 0.45
TAS2R8 Q9NYW2 1/20 0.44
RPS6KA3 P51812 1/20 0.41

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
SCHEMBL4492919 0.90 ALDH1A1 (0.51) SCD5SCD
SCHEMBL4506513 0.85 SCD5 (0.49) SCD5CYP2C8CYP2B6CYP2C9CYP2C19
SCHEMBL4499452 0.84 SCD5 (0.43) SCD5CYP2C8CYP2B6CYP2C9CYP2C19
SCHEMBL4516462 0.84 GRM4 (0.47) SCD5CYP2C9CYP2C19SCDTAS2R8
SCHEMBL4516523 0.80 SCD (0.51) SCD5CYP2C8CYP2B6SCD
SCHEMBL4502765 0.79 SCD5 (0.54) SCD5SCD
SCHEMBL4505284 0.79 ALDH1A1 (0.66) SCD5SCD
SCHEMBL4515696 0.78 ALDH1A1 (0.56) SCD5SCD
Hydrochloric Acid SCHEMBL4512405 0.78 ALDH1A1 (0.56) SCD5SCD
SCHEMBL4507671 0.77 SMN1; SMN2 (0.58) SCD5CYP2C9CYP2C19SCD

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 2/4885CYP2C8 419/4885CYP2B6 157/4885

“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.