SCHEMBL7070155

SCHEMBL7070155

COC(=O)c1cc(O)nc(SC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LCK P06239 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NQO2 P16083 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 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
SCHEMBL4548034 0.83 MAPT (0.59) KDM4EALDH1A1MAPTPKMTSHR
SCHEMBL1734395 0.81 KDM4E (0.45) KDM4EALDH1A1MAPTPKMTSHR
SCHEMBL3357653 0.80 ALOX15 (0.42) KDM4EALDH1A1MAPTTSHRLMNA
SCHEMBL2684167 0.78 MAPK1 (0.43) KDM4EALDH1A1MAPTPKMLMNA
SCHEMBL3808604 0.77 KDM4E (0.42) KDM4EALDH1A1MAPTPKMLMNA
SCHEMBL5691134 0.75 GPR84 (0.47) PKMLMNAMAPK1SMN1; SMN2HSD17B10
SCHEMBL24046189 0.75 NQO2 (0.43) KDM4EALDH1A1MAPTPKMLMNA
SCHEMBL31112076 0.75 KDM4E (0.44) KDM4EALDH1A1MAPTPKMLMNA
SCHEMBL537673 0.74 MAPK1 (0.42) KDM4EALDH1A1MAPTPKMLMNA
SCHEMBL10389212 0.72 MAPK1 (0.41) KDM4EALDH1A1MAPTPKMLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US 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-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD KDM4E 352/4885ALDH1A1 273/4885MAPT 4265/4885

“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.