SCHEMBL6154843

SCHEMBL6154843

COc1ccc(CSc2cccc(N=C=S)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.48
APP P05067 1/20 0.48
MIF P14174 1/20 0.44
DAO P14920 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CTSB P07858 1/20 0.38
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37

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
SCHEMBL6154789 0.84 MIF (0.48) MAOBMAOAMIFDAONPC1
SCHEMBL5556877 0.83 TP53 (0.49) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6153598 0.82 MIF (0.43) MAOBMAOAMIFDAOALDH1A1
SCHEMBL6153761 0.77 MAOB (0.56) MAOBMAOAAPPDAONPC1
Isothiocyanate SCHEMBL6154852 0.77 APP (0.59) MAOBMAOAAPPMIFDAO
SCHEMBL6153764 0.76 MAOB (0.55) MAOBMAOAAPPDAONPC1
SCHEMBL2272164 0.74 APP (0.69) MAOBMAOAAPPDAONPC1
SCHEMBL23558 0.74 HTR3E (0.53) MIFNPC1RAB9AALDH1A1TDP1
SCHEMBL6193733 0.73 KIF11 (0.42) MIFALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3228582 0.72 APP (0.82) MAOBMAOAAPPDAONPC1

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAOB 3660/4885MAOA 4410/4885APP 4880/4885

“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.