SCHEMBL1647855

SCHEMBL1647855

CCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
GALR2 O43603 1/20 0.50
MITF O75030 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL6055047 0.93 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL28406275 0.90 PDGFRB (0.53) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL28498143 0.90 GAA (0.49) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9721456 0.89 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9793663 0.89 MAPT (0.52) ALDH1A1SMN1; SMN2LMNAPDGFRBFGFR1
SCHEMBL28422439 0.89 TDP1 (0.49) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL9721603 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL1645081 0.84 TSHR (0.53) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL18655514 0.84 PDGFRB (0.50) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL6383566 0.84 HTT (0.59) LMNAPOLBMEN1CYP2C19KMT2A

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
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885SMN1; SMN2 3663/4885LMNA 743/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885SMN1; SMN2 3663/4885LMNA 743/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ALDH1A1 1157/4885SMN1; SMN2 4105/4885LMNA 691/4885

“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.