SCHEMBL6506883

SCHEMBL6506883

CSc1ccccc1C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KMT2A Q03164 6/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 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
SCHEMBL3078657 0.80 KMT2A (0.47) HTTKMT2AGAAMEN1HPGD
SCHEMBL701691 0.78 SIRT1 (0.60) HTTKMT2AGAAMEN1HPGD
Iodide SCHEMBL7710889 0.77 SIRT1 (0.58) HTTKMT2AGAAMEN1HPGD
Hydrochloric Acid SCHEMBL11629987 0.77 HTT (0.42) HTTKMT2AGAAMEN1HPGD
SCHEMBL609919 0.75 ALDH1A1 (0.42) KMT2AGAAMEN1HPGDALDH1A1
SCHEMBL13964794 0.74 BCAT2 (0.43) KMT2AGAAMEN1HPGDALDH1A1
SCHEMBL11715134 0.74 KMT2A (0.39) HTTKMT2AGAAMEN1HPGD
SCHEMBL9669181 0.73 HTT (0.55) HTTKMT2AGAAMEN1HPGD
SCHEMBL5613062 0.72 BCAT2 (0.53) HTTKMT2AGAAMEN1HPGD
SCHEMBL7537538 0.72 HTT (0.46) HTTKMT2AGAAMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 HTT 4847/4885KMT2A 4107/4885GAA 2036/4885

“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.