SCHEMBL19566993

SCHEMBL19566993

CCn1c(SCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)nnc1-c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.77
▸ HTT P42858 2/20 0.77
▸ ALDH1A1 P00352 7/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ MAPK1 P28482 1/20 0.63
▸ TSHR P16473 2/20 0.61
▸ GAA P10253 3/20 0.58
▸ THRB P10828 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ USP2 O75604 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ CDC25A P30304 1/20 0.55
▸ CDC25B P30305 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ NPC1 O15118 1/20 0.55

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
SCHEMBL19549066 0.93 LMNA (0.75) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19549101 0.91 LMNA (0.73) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL17725778 0.91 LMNA (0.73) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19567003 0.90 LMNA (0.67) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19566999 0.89 ALDH1A1 (0.65) LMNAHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19566994 0.88 TSHR (0.64) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL18559056 0.87 LMNA (1.00) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL13737637 0.86 KMT2A (0.75) LMNAHTTALDH1A1MAPTMAPK1
SCHEMBL19566995 0.85 LMNA (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19549110 0.85 LMNA (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT

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-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes APOGLYX AB (SE) 2018-07-03 — — US disclosed
US-20170320869-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES APOGLYX AB (SE) 2017-11-09 — — 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 (2 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-20170320869-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES AQP1, AQP3, AQP4 LMNA 1545/4885HTT 3764/4885ALDH1A1 1327/4885
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes AQP1, AQP3, AQP4 LMNA 1545/4885HTT 3764/4885ALDH1A1 1327/4885

“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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