SCHEMBL2826182

SCHEMBL2826182

CCc1[nH]c(C(=O)Nc2ccc(-c3nc(C(=O)O)co3)cc2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
TOP2A P11388 1/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
SMO Q99835 2/20 0.41
KCNH2 Q12809 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
PTPN1 P18031 1/20 0.38
JAK2 O60674 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2823879 0.90 TOP2A (0.44) TOP2AHDAC1HDAC8HDAC6SMO
SCHEMBL2825623 0.86 TOP2A (0.46) ADRB2ADRB1ADRB3TOP2AHDAC1
SCHEMBL2822560 0.84 TOP2A (0.50) ADRB2ADRB1ADRB3TOP2AHDAC1
SCHEMBL2825250 0.82 GAA (0.49) TOP2ASMOMAPTALDH1A1
SCHEMBL2826651 0.82 DGAT1 (0.42) TOP2ASMOMAPTALDH1A1
SCHEMBL2823636 0.77 TOP2A (0.47) TOP2AHDAC1HDAC8HDAC6SCN10A
SCHEMBL2823220 0.77 TOP2A (0.50) TOP2AHDAC1HDAC8HDAC6SCN10A
SCHEMBL2824534 0.76 TARBP2 (0.49) TOP2ASMOMAPTALDH1A1
SCHEMBL2823778 0.76 PTPN1 (0.46) TOP2AHDAC1HDAC8HDAC6KCNH2
SCHEMBL2822676 0.76 XDH (0.61) TOP2AMEN1KMT2AMAPTALDH1A1

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 14 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
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
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 ADRB2 4481/4885ADRB1 4256/4885ADRB3 4606/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ADRB2 4451/4885ADRB1 3795/4885ADRB3 4416/4885

“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.