SCHEMBL6154649

SCHEMBL6154649

Cc1ccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
TDP1 Q9NUW8 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
GAA P10253 7/20 0.73
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 6/20 0.60
LMNA P02545 5/20 0.60
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.60
POLB P06746 2/20 0.60
ALOX12 P18054 1/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
PPIA P62937 1/20 0.57
HPGD P15428 2/20 0.56
PLA2G1B P04054 1/20 0.56
BLM P54132 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL6154317 0.87 MAPT (0.82) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL6155197 0.83 GAA (0.74) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL6154198 0.81 GAA (0.74) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL6155499 0.80 MAPT (0.76) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL6155202 0.79 GAA (0.71) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL16441779 0.78 MEN1 (0.69) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL6155611 0.77 MAPT (0.63) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL6154496 0.77 GAA (0.69) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL6154277 0.76 GAA (0.66) MAPTTDP1L3MBTL1GAAMEN1
SCHEMBL14096558 0.74 ALDH1A1 (0.69) MAPTTDP1L3MBTL1GAAMEN1

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 MAPT 3318/4885TDP1 219/4885L3MBTL1 279/4885

“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.