SCHEMBL10284553

SCHEMBL10284553

Nc1ccc(CC(F)(F)F)cc1N=O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.30
▸ CDC25B P30305 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ RCE1 Q9Y256 1/20 0.30

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
SCHEMBL10284551 0.80 — —
SCHEMBL23374384 0.79 FDPS (0.37) —
SCHEMBL9287963 0.77 ALDH1A1 (0.39) ALDH1A1CDC25BCASP6RCE1
SCHEMBL6468217 0.76 NOS3 (0.38) ALDH1A1
SCHEMBL28218974 0.75 ALDH1A1 (0.36) ALDH1A1CDC25BCASP6RCE1
SCHEMBL16404803 0.74 TAAR1 (0.42) ALDH1A1
SCHEMBL18850328 0.72 SKP2 (0.53) ALDH1A1
SCHEMBL14216254 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7107363 0.72 CA12 (0.38) ALDH1A1
SCHEMBL22262276 0.72 HTR1A (0.40) ALDH1A1

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-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — 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-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885CDC25B 3536/4885CASP6 3086/4885

“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.

Send feedback