SCHEMBL6370751

SCHEMBL6370751

Nc1ccc2c(c1)CSC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.53
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ GAA P10253 1/20 0.52
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BLM P54132 3/20 0.39

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
SCHEMBL22271588 0.84 ACHE (0.59) ACHELMNAMAPTGAACASP1
SCHEMBL21546157 0.72 ALDH1A1 (0.55) ACHELMNAMAPTGAACASP1
SCHEMBL6235519 0.71 PTPRC (0.50) ACHELMNAMAPTHSD17B10RAB9A
SCHEMBL5845169 0.70 ACHE (1.00) ACHEALDH1A1HPGDKDM4EPARP1
SCHEMBL17058062 0.70 — —
SCHEMBL12891155 0.68 RAB9A (0.61) LMNAMAPTGAACASP1CASP7
SCHEMBL29580985 0.68 LMNA (1.00) LMNAMAPTGAACASP1CASP7
SCHEMBL2017652 0.68 LMNA (1.00) LMNAMAPTGAACASP1CASP7
SCHEMBL4231216 0.67 MAPK14 (0.62) ACHELMNAMAPTGAACASP1
SCHEMBL434358 0.67 CASP1 (1.00) LMNAMAPTGAACASP1CASP7

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-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 — — 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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL ACHE 423/4885LMNA 2919/4885MAPT 4424/4885

“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.

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