SCHEMBL1491575

SCHEMBL1491575

CC(C)(C)OC(=O)N(Cc1ccccc1[N+](=O)[O-])C(C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRK1 P41145 1/20 0.39

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
SCHEMBL1491573 1.00 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2AOPRK1
SCHEMBL1491448 0.87 CCR5 (0.41) OPRK1
SCHEMBL1491451 0.87 CCR5 (0.41) OPRK1
SCHEMBL12660635 0.85 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1KMT2AOPRK1
SCHEMBL1491455 0.84 CACNA1B (0.40) MEN1KMT2AOPRK1
SCHEMBL1491457 0.84 CACNA1B (0.40) MEN1KMT2AOPRK1
SCHEMBL1491730 0.84 ALDH1A1 (0.44) KDM4EALDH1A1OPRK1
SCHEMBL1491732 0.84 ALDH1A1 (0.44) KDM4EALDH1A1OPRK1
SCHEMBL1493571 0.81 CACNA1B (0.38) MEN1KMT2AOPRK1
SCHEMBL1493572 0.81 CACNA1B (0.38) MEN1KMT2AOPRK1

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 KDM4E 260/4885MEN1 2620/4885ALDH1A1 220/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 KDM4E 393/4885MEN1 2784/4885ALDH1A1 723/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 KDM4E 872/4885MEN1 3381/4885ALDH1A1 1343/4885

“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.