SCHEMBL1284679

SCHEMBL1284679

CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCCCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TLR7 Q9NYK1 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.49
SIRT1 Q96EB6 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL10272097 0.90 SIRT2 (0.52) ALDH1A1HSD17B10KDM4EHPGDSIRT2
SCHEMBL1688393 0.88 TLR7 (0.54) ALDH1A1KDM4EHPGDTLR7NPSR1
SCHEMBL4303881 0.85 TLR7 (0.61) HSD17B10KDM4ETLR7L3MBTL1NPY5R
SCHEMBL1644300 0.85 TLR7 (0.57) TLR7TP53MAPTNPY5R
SCHEMBL1688404 0.84 HSD17B10 (0.60) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL1285490 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL14378324 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL20589799 0.75 ALDH1A1 (0.51) ALDH1A1HPGDSIRT2SIRT1NPSR1
SCHEMBL1644191 0.74 PIK3CA (0.50) ALDH1A1HSD17B10TLR7NPSR1TSHR
SCHEMBL1688399 0.73 NTSR1 (0.52) ALDH1A1TSHRLMNATP53L3MBTL1

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 3 patents. 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
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 1265/4885HSD17B10 3107/4885KDM4E 4075/4885

“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.