SCHEMBL6155499

SCHEMBL6155499

O=C(NNC(=S)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.76
GAA P10253 6/20 0.76
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 5/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
NPC1 O15118 2/20 0.60
POLB P06746 3/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 1/20 0.56
TRPV1 Q8NER1 1/20 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
SCHEMBL25822192 0.86 KMT2A (0.76) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6154317 0.84 MAPT (0.82) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6154823 0.82 ALDH1A1 (0.59) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL16430901 0.81 MEN1 (0.81) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6154649 0.80 MAPT (1.00) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6155197 0.80 GAA (0.74) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6154198 0.80 GAA (0.74) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6155202 0.78 GAA (0.71) MAPTGAAMEN1KMT2ATDP1
SCHEMBL30542203 0.77 ALDH1A1 (0.65) MAPTGAAMEN1KMT2ATDP1
SCHEMBL10943066 0.77 KMT2A (0.94) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 1 patent. 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

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 3318/4885GAA 2365/4885MEN1 4329/4885

“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.