SCHEMBL5744558

SCHEMBL5744558

CCn1c(SCC(=O)O)nnc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.70
ALDH1A1 P00352 4/20 0.67
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KDM4E B2RXH2 1/20 0.67
ALPL P05186 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
ALPG P10696 1/20 0.67
ALOX12 P18054 1/20 0.67
HTT P42858 3/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.61
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
RECQL P46063 1/20 0.60
NOD2 Q9HC29 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
SCHEMBL4208241 0.88 ALDH1A1 (0.80) GAAL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL18556551 0.87 ALDH1A1 (0.79) GAAL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6405883 0.87 GAA (1.00) GAAL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL4200858 0.84 ALDH1A1 (0.80) GAAL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL13831528 0.84 TP53 (0.74) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5997193 0.83 GAA (0.76) GAAL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL14475632 0.82 LMNA (0.72) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL15983527 0.82 GAA (0.64) GAAL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL4200790 0.81 ALDH1A1 (0.83) GAAL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL4211265 0.81 ALDH1A1 (0.88) GAAL3MBTL1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-11 US disclosed
EP-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 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-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles HSD3B1, HSD11B1, HSD3B2 GAA 697/4885L3MBTL1 4511/4885ALDH1A1 132/4885

“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.