SCHEMBL6154702

SCHEMBL6154702

[NH]c1cccc(SCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SLC6A4 P31645 1/20 0.41
DAO P14920 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19973146 0.82 MAOA (0.51) MAOAMAOBSLC6A4DAOHAO1
SCHEMBL6154708 0.81 MAOA (0.50) MAOAMAOBTAAR1SLC6A4DAO
Ammonia Solution, Strong SCHEMBL6679866 0.80 MAOA (0.48) MAOAMAOBTAAR1SLC6A4DAO
SCHEMBL6153697 0.79 CA12 (0.41) MAOAMAOBKMT2AMAPTHTT
SCHEMBL6679870 0.78 MAPT (0.43) MAOAMAOBTAAR1SLC6A4DAO
SCHEMBL6153761 0.77 MAOB (0.56) MAOAMAOBDAOMEN1KMT2A
SCHEMBL6076179 0.75 MAOA (0.60) MAOAMAOBTAAR1SLC6A4DAO
Isothiocyanate SCHEMBL6153605 0.75 MAOB (0.47) MAOAMAOBTAAR1SLC6A4DAO
SCHEMBL10055053 0.74 ALDH1A1 (0.57) MAOAMAOBSLC6A4KDM4EMEN1
SCHEMBL6663415 0.74 ROCK2 (0.45) MAOAMAOBTAAR1SLC6A4DAO

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 MAOA 4410/4885MAOB 3660/4885TAAR1 2141/4885

“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.