SCHEMBL1326587

SCHEMBL1326587

CCOC(=O)COc1c(OC)cc([N+](=O)[O-])cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CBLB Q13191 1/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NTSR1 P30989 1/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.44
S1PR4 O95977 1/20 0.44
ITGA4 P13612 1/20 0.44

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
SCHEMBL12124216 0.93 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL7843179 0.89 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL13215569 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL2059346 0.84 MAPT (0.49) ALDH1A1CYP1A2CYP2C19GAAMAPT
SCHEMBL21070030 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL20042055 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL3536740 0.84 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL4072031 0.82 KDM4E (0.51) ALDH1A1GAAL3MBTL1MAPTKMT2A
SCHEMBL7513156 0.82 HTT (0.50) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL12776980 0.81 ALDH1A1 (0.49) ALDH1A1GAAMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498607-B1 KINASE INHIBITORS GENOSCO (US) 2016-02-17 EP disclosed
US-8629132-B2 Kinase inhibitors GENOSCO (US) 2014-01-14 US disclosed
US-8629132-B2 Kinase inhibitors GENOSCO (US) 2014-01-14 US disclosed
EP-2498607-A1 KINASE INHIBITORS Genosco (US) 2012-09-19 EP disclosed
US-8211900-B2 DHFR enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2012-07-03 US disclosed
US-8211900-B2 DHFR enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2012-07-03 US disclosed
US-20110281841-A1 Kinase Inhibitors OSCOTEC, INC. (KR) 2011-11-17 US disclosed
US-20110281841-A1 Kinase Inhibitors OSCOTEC, INC. (KR) 2011-11-17 US disclosed
WO-2011060295-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-19 WO disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
WO-2007132146-A1 DHFR ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 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 (2 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-20090118311-A1 DHFR Enzyme Inhibitors DHFR, MTHFD1, ALDH7A1 ALDH1A1 216/4885CYP1A2 253/4885CYP2C19 750/4885
US-20110281841-A1 Kinase Inhibitors LCK, PDK1, MAP3K11 ALDH1A1 2587/4885CYP1A2 3381/4885CYP2C19 2475/4885

“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.