SCHEMBL1491418

SCHEMBL1491418

CCOC(=O)C(Cc1ccccc1)N(Cc1cccc(N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP8 P22894 1/20 0.38
TP53 P04637 1/20 0.38
SLC7A5 Q01650 1/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
KLK5 Q9Y337 1/20 0.36
BACE1 P56817 1/20 0.36
AKT1 P31749 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL1491415 1.00 ALDH1A1 (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL12536039 0.86 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL21301591 0.86 ALDH1A1 (0.44) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL1491427 0.84 CYP2D6 (0.47) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL1491432 0.84 CYP2D6 (0.47) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL10955821 0.83 ALDH1A1 (0.45) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL10955818 0.83 ALDH1A1 (0.45) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL13627355 0.81 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL16690711 0.81 TRPM8 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL27691293 0.79 TRPM8 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 220/4885LMNA 2584/4885POLB 242/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ALDH1A1 723/4885LMNA 885/4885POLB 667/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ALDH1A1 1343/4885LMNA 1371/4885POLB 979/4885

“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.