SCHEMBL2822690

SCHEMBL2822690

CCOC(=O)c1cccc(C2CCC(N)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
KMO O15229 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
PTGER4 P35408 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2822693 1.00 ATM (0.46) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL2825586 1.00 ATM (0.46) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL27728458 0.88 ATM (0.47) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL5001045 0.88 ATM (0.47) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL5390528 0.87 KMO (0.59) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL1790402 0.86 KMO (0.61) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL613159 0.84 ATM (0.49) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL1273971 0.84 HTR2C (0.54) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL3289949 0.83 LMNA (0.54) NPC1RAB9ASMN1; SMN2PTGER4CA12
Hydrochloric Acid SCHEMBL1273969 0.83 HTR2C (0.55) ATMCYP4F2CYP4A11KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 CN disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
US-20080161306-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-07-03 US disclosed
CN-101163674-A Pyrrole derivatives as DNA gyrase and topoisomerase inhibitors ASTRAZENECA AB (SE) 2008-04-16 CN 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ATM 580/4885CYP4F2 2994/4885CYP4A11 1575/4885
US-20080161306-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B ATM 1082/4885CYP4F2 1083/4885CYP4A11 726/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ATM 1655/4885CYP4F2 1404/4885CYP4A11 272/4885

“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.