SCHEMBL1491522

SCHEMBL1491522

O=C(OC1CCCC1)C(NCc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.46
TACR1 P25103 2/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
ANPEP P15144 2/20 0.45
LTA4H P09960 1/20 0.45
LAP3 P28838 1/20 0.45
NPEPPS P55786 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
KDM1A O60341 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL1491519 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL1491681 0.83 EPHX1 (0.46) ALDH1A1KDM4EKMT2AMEN1MMP2
SCHEMBL1491678 0.83 EPHX1 (0.46) ALDH1A1KDM4EKMT2AMEN1MMP2
SCHEMBL1491603 0.80 MEN1 (0.55) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL1491605 0.80 MEN1 (0.55) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL27711466 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL27711468 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL4094382 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL12660635 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8203230 0.75 MEN1 (0.50) KMT2AMEN1MMP2MMP9ANPEP

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 220/4885KDM4E 260/4885KMT2A 101/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ALDH1A1 723/4885KDM4E 393/4885KMT2A 177/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ALDH1A1 1343/4885KDM4E 872/4885KMT2A 428/4885

“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.