SCHEMBL6155072

SCHEMBL6155072

COc1ccc(CSc2cccc(NC(=S)NN)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 3/20 0.44
HDAC3 O15379 1/20 0.43
NCOR1 O75376 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 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
SCHEMBL5552494 0.85 RAB9A (0.48) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL6154721 0.83 IDO1 (0.46) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL6243326 0.81 HTT (0.52) ALDH1A1GAAMEN1KMT2ACYP2C19
SCHEMBL6663788 0.80 MAOB (0.48) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL23220318 0.76 IDO1 (0.68) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
Alcohol SCHEMBL28252000 0.75 KMT2A (0.62) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL6153764 0.74 MAOB (0.55) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5432263 0.73 MAPT (0.69) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL455626 0.73 HPGD (0.70) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL6153761 0.72 MAOB (0.56) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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 ALDH1A1 961/4885SMN1; SMN2 2211/4885LMNA 4884/4885

“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.