SCHEMBL13664664

SCHEMBL13664664

COC(=O)CCCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
KEAP1 Q14145 4/20 0.47
NFE2L2 Q16236 4/20 0.47
MIF P14174 3/20 0.42
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
BACH1 O14867 1/20 0.41
MAFK O60675 1/20 0.41
EGFR P00533 1/20 0.41
PTGS2 P35354 1/20 0.41
TRPA1 O75762 5/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL17519951 0.94 TSHR (0.52) TSHRKEAP1NFE2L2MIFNAAA
SCHEMBL2824773 0.92 TSHR (0.50) TSHRKEAP1NFE2L2MIFNAAA
SCHEMBL13123489 0.92 TSHR (0.50) TSHRKEAP1NFE2L2MIFNAAA
SCHEMBL11177812 0.92 TSHR (0.50) TSHRKEAP1NFE2L2MIFNAAA
SCHEMBL1364810 0.88
SCHEMBL3403179 0.82 TSHR (0.56) TSHRALDH1A1LMNA
SCHEMBL3083780 0.81 CYP1A2 (0.50) TSHRKEAP1NFE2L2MIFNAAA
SCHEMBL10695420 0.77 TSHR (0.50) TSHRALDH1A1LMNA
SCHEMBL25332582 0.77
SCHEMBL13667792 0.77

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 TSHR 217/4885KEAP1 3263/4885NFE2L2 3286/4885

“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.