SCHEMBL1553043

SCHEMBL1553043

CCOC(=O)c1cccc2nc(Br)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.47
CDC25B P30305 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ILK Q13418 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL260372 0.84 ALDH1A1 (0.51) TSHRCYP1A2CDC25BALDH1A1HSD17B10
SCHEMBL6112936 0.84 TSHR (0.50) TSHRCYP1A2CDC25BALDH1A1HSD17B10
SCHEMBL19783237 0.84 ILK (0.54) TSHRALDH1A1HSD17B10MAPTHPGD
Bromide SCHEMBL261347 0.83 ALDH1A1 (0.50) TSHRCYP1A2CDC25BALDH1A1HSD17B10
SCHEMBL5118299 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10SMN1; SMN2MAPTRAB9A
SCHEMBL29351134 0.76 NPC1 (0.52) CYP1A2ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL28705957 0.76 NPC1 (0.52) CYP1A2ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL3114640 0.76 NUDT1 (0.46) TSHRCYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2824199 0.76 PRKD3 (0.45) TSHRCYP1A2CDC25BALDH1A1HSD17B10
SCHEMBL9087862 0.75 TSHR (0.53) TSHRCYP1A2CDC25BALDH1A1HSD17B10

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 15 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
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP disclosed
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 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 (6 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS TSHR 4453/4885CYP1A2 907/4885CDC25B 835/4885
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP TSHR 4107/4885CYP1A2 341/4885CDC25B 469/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR TSHR 4034/4885CYP1A2 33/4885CDC25B 1321/4885
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TSHR 4153/4885CYP1A2 2031/4885CDC25B 293/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 TSHR 4102/4885CYP1A2 602/4885CDC25B 1880/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TSHR 4736/4885CYP1A2 545/4885CDC25B 216/4885

“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.