SCHEMBL6893099

SCHEMBL6893099

CC(=O)c1ccc(C(N)=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.56
NOS1 P29475 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B1 P14061 1/20 0.48
NPC1 O15118 1/20 0.47
STS P08842 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
Acetophenone SCHEMBL28866763 0.89 MAPT (0.54) NOS3NOS1SMN1; SMN2MAPTHPGD
SCHEMBL2206586 0.81 HTT (0.62) SMN1; SMN2HTTMAPTLMNA
SCHEMBL50646 0.81 MAPT (0.68) NOS3NOS1SMN1; SMN2MAPTHPGD
SCHEMBL2304015 0.79 PARP1 (0.55) NOS1SMN1; SMN2HTTMAPTL3MBTL1
SCHEMBL1718746 0.79 NOS1 (0.60) NOS3NOS1SMN1; SMN2MAPTHPGD
Acetophenone SCHEMBL7141951 0.78 MAPT (0.58) NOS3NOS1SMN1; SMN2MAPTHPGD
SCHEMBL6888913 0.78 ALDH1A1 (0.51) SMN1; SMN2MAPTHPGDRAB9ALMNA
Hydrochloric Acid SCHEMBL4372446 0.77 NOS1 (0.61) NOS3NOS1SMN1; SMN2MAPTHPGD
SCHEMBL1972179 0.77 TSHR (0.63) SMN1; SMN2HTTALDH1A1
SCHEMBL29138676 0.77 MAPT (0.56) NOS3NOS1SMN1; SMN2MAPTHPGD

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 9 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-9242009-B2 Compositions and methods to treat neurodegenerative diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 US disclosed
US-20150209438-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION 2015-07-30 US disclosed
WO-2014015047-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2014-01-23 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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-20150209438-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES PSEN2, SNCA, PSEN1 NOS3 1299/4885NOS1 1874/4885SMN1; SMN2 4/4885

“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.