SCHEMBL2823911

SCHEMBL2823911

CCCCc1nc(Br)sc1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.45
HPGD P15428 4/20 0.44
CDC7 O00311 5/20 0.42
DBF4 Q9UBU7 5/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
DHODH Q02127 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1919240 0.95 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2692004 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2823884 0.85 ALDH1A1 (0.63) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL23214292 0.84 LMNA (0.49) ALDH1A1CYP1A2HPGDCDC7DBF4
SCHEMBL1921091 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDCDC7DBF4
SCHEMBL30740576 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2885576 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL4809982 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2694807 0.81 CDC7 (0.54) CDC7DBF4KDM4ESMN1; SMN2
SCHEMBL1920613 0.80 ALDH1A1 (0.45) ALDH1A1CYP1A2HPGDCDC7DBF4

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 6 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
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 ALDH1A1 3596/4885CYP1A2 2031/4885TSHR 4153/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885CYP1A2 545/4885TSHR 4736/4885

“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.