SCHEMBL4936690

SCHEMBL4936690

COc1ccccc1CNc1scnc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ASPH Q12797 1/20 0.53
KDM8 Q8N371 1/20 0.53
HIF1A Q16665 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HPGD P15428 4/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL16296149 0.81 NAMPT (0.46) KDM4EASPHKDM8KMT2AMEN1
SCHEMBL30560828 0.81 NAMPT (0.46) KDM4EASPHKDM8KMT2AMEN1
SCHEMBL4930535 0.80 ALDH1A1 (0.46) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL16296163 0.80 PTGES2 (0.51) KDM4EKMT2AMEN1PKMALDH1A1
SCHEMBL30560833 0.80 PTGES2 (0.51) KDM4EKMT2AMEN1PKMALDH1A1
SCHEMBL4930520 0.79 NTRK1 (0.47) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL2826673 0.78 KDM4E (0.52) KDM4EASPHKDM8HDAC3HDAC1
SCHEMBL8262971 0.76 KDM4E (0.58) KDM4EASPHKDM8HIF1AKMT2A
SCHEMBL30560818 0.73 SLC40A1 (0.46) KMT2AMEN1PKMALDH1A1TDP1
SCHEMBL16295774 0.73 SLC40A1 (0.46) KMT2AMEN1PKMALDH1A1TDP1

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
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US claimed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP claimed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO claimed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 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 (1 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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 KDM4E 1029/4885ASPH 1723/4885KDM8 418/4885

“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.