SCHEMBL1491432

SCHEMBL1491432

CCOC(=O)C(Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 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
SCHEMBL1491427 1.00 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19CYP1A2ITGA4
SCHEMBL21301649 0.87 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19CYP1A2ITGA4
SCHEMBL12535989 0.87 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19CYP1A2ITGA4
SCHEMBL1491418 0.84 ALDH1A1 (0.43) ITGA4ITGB7LMNAALDH1A1L3MBTL1
SCHEMBL1491415 0.84 ALDH1A1 (0.43) ITGA4ITGB7LMNAALDH1A1L3MBTL1
SCHEMBL6799985 0.83 ITGA4 (0.51) ITGA4ITGB7LMNAALDH1A1SMN1; SMN2
SCHEMBL6799990 0.83 ITGA4 (0.51) ITGA4ITGB7LMNAALDH1A1SMN1; SMN2
SCHEMBL16690714 0.82 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19CYP1A2ITGA4
SCHEMBL2384455 0.82 ITGA4 (0.49) CYP2D6CYP2C9CYP2C19CYP1A2ITGA4
SCHEMBL27703142 0.82 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19CYP1A2ITGA4

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 CYP2D6 2256/4885CYP2C9 2054/4885CYP2C19 1732/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CYP2D6 917/4885CYP2C9 1354/4885CYP2C19 1953/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CYP2D6 1632/4885CYP2C9 2059/4885CYP2C19 2583/4885

“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.