SCHEMBL2852739

SCHEMBL2852739

CCO[C@H]1CN(C(=O)C(=O)Nc2ccccc2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
PTPN1 P18031 3/20 0.37
PTPN2 P17706 2/20 0.37
PTPN11 Q06124 2/20 0.37
TOP2A P11388 2/20 0.35
ACKR3 P25106 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2852732 1.00 IDO1 (0.37) IDO1PTPN1PTPN2PTPN11TOP2A
SCHEMBL2847334 0.89 TOP2A (0.37) TOP2AACKR3POLBMAPTKDM4E
SCHEMBL2847338 0.89 TOP2A (0.37) TOP2AACKR3POLBMAPTKDM4E
SCHEMBL13173537 0.88 ACKR3 (0.36) TOP2AACKR3
SCHEMBL2824516 0.88 ACKR3 (0.36) TOP2AACKR3
SCHEMBL2847115 0.85 ACKR3 (0.36) TOP2AACKR3
SCHEMBL2847118 0.85 ACKR3 (0.36) TOP2AACKR3
SCHEMBL2852495 0.85 TOP2A (0.36) TOP2AACKR3
SCHEMBL2852493 0.85 TOP2A (0.36) TOP2AACKR3
SCHEMBL13787589 0.85 ACKR3 (0.35) TOP2AACKR3

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-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-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-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
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US 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

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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A IDO1 1390/4885PTPN1 4450/4885PTPN2 4497/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A IDO1 227/4885PTPN1 2846/4885PTPN2 3625/4885

“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.