SCHEMBL7907958

SCHEMBL7907958

CNC(=S)NNC(=O)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.72
ALPL P05186 1/20 0.69
ALPI P09923 1/20 0.69
ALPG P10696 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALDH1A1 P00352 6/20 0.65
POLB P06746 2/20 0.65
KDM4E B2RXH2 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.60

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
SCHEMBL5361880 0.85 HDAC1 (0.74) GAAALPLALPIALPGCYP2C9
SCHEMBL8723753 0.84 GAA (0.69) GAAALPLALPIALPGCYP2C9
SCHEMBL2988299 0.82 HDAC1 (0.65) GAAALPLALPIALPGCYP2C9
Nicotinyl Methylamide SCHEMBL28560459 0.81 HDAC1 (0.69) GAAALPLALPIALPGALDH1A1
Nicotinyl Methylamide SCHEMBL30664356 0.81 HDAC1 (0.69) GAAALPLALPIALPGALDH1A1
Nicotinyl Methylamide SCHEMBL129458 0.81 HDAC1 (0.69) GAAALPLALPIALPGALDH1A1
SCHEMBL255625 0.81 CA1 (0.65) GAAALPLALPIALPGCYP2C9
Iodide SCHEMBL28221159 0.80 HDAC1 (0.62) GAAALPLALPIALPGCYP2C9
SCHEMBL2477798 0.80 GAA (0.69) GAAALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL18136525 0.80 KMT2A (0.63) GAAALPLALPIALPGCYP2C9

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-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
WO-2010071559-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY] -4H- [1,2, 4] TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL] ETHANOL ASTRAZENECA AB (SE) 2010-06-24 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-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ADH1A, ADH5, ADH1C GAA 4307/4885ALPL 1258/4885ALPI 2963/4885

“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.