SCHEMBL1285490

SCHEMBL1285490

CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CC(C)OC(C)C3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 1/20 0.43
HTT P42858 3/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL1688375 0.89 KDM4E (0.50) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1285707 0.88 KDM4E (0.55) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1643365 0.86 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL10272097 0.84 SIRT2 (0.52) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1284679 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1688404 0.77 HSD17B10 (0.60) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL14378324 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL1688393 0.72 TLR7 (0.54) ALDH1A1KDM4EHPGDL3MBTL1NPSR1
SCHEMBL6132378 0.70 ALDH1A1 (0.62) ALDH1A1HPGDTSHRL3MBTL1NPSR1
SCHEMBL6132380 0.70 ALDH1A1 (0.62) ALDH1A1HPGDTSHRL3MBTL1NPSR1

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885KDM4E 4075/4885HSD17B10 3107/4885

“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.