SCHEMBL4512227

SCHEMBL4512227

O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(COc2ccccc2Cl)ccn1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 19/20 0.60
SCD5 Q86SK9 12/20 0.60
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
Hydrochloric Acid SCHEMBL4512405 0.92 ALDH1A1 (0.56) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4505284 0.92 ALDH1A1 (0.66) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4507671 0.89 SMN1; SMN2 (0.58) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4515703 0.88 SMN1; SMN2 (0.58) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4509650 0.88 ALDH1A1 (0.53) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4492672 0.88 ALDH1A1 (0.53) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4509100 0.87 SCD5 (0.54) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4502765 0.85 SCD5 (0.54) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4504870 0.84 SMN1; SMN2 (0.52) SCDSCD5ALDH1A1SMN1; SMN2
SCHEMBL4508426 0.84 ALDH1A1 (0.56) SCDSCD5ALDH1A1SMN1; 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 SCD 1/4885SCD5 2/4885ALDH1A1 1311/4885

“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.