SCHEMBL13664666

SCHEMBL13664666

CCOC(=O)C1(N=C=S)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
OPRM1 P35372 6/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL29128570 0.85 POLB (0.36) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL13667807 0.79 ALDH1A1 (0.37) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL7836602 0.78 SMN1; SMN2 (0.40) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL13913464 0.73 POLB (0.33) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL9533267 0.73 KDM4E (0.36) ALDH1A1KMT2AMGAMGAASI
SCHEMBL7839976 0.71 TSHR (0.44) POLBALDH1A1SMN1; SMN2ATMLMNA
SCHEMBL13328607 0.70 POLB (0.34) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL14629536 0.70 POLB (0.34) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL23509910 0.69 SMN1; SMN2 (0.38) POLBOPRM1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL27800265 0.68 ALDH1A1 (0.35) POLBALDH1A1SMN1; SMN2ATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R POLB 4437/4885OPRM1 166/4885ALDH1A1 2349/4885

“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.