SCHEMBL16034741

SCHEMBL16034741

O=C(O)c1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
ALPL P05186 2/20 0.69
KMT2A Q03164 8/20 0.69
MEN1 O00255 7/20 0.69
GAA P10253 5/20 0.69
ALDH1A1 P00352 11/20 0.68
LMNA P02545 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
KDM4E B2RXH2 6/20 0.67
HTT P42858 1/20 0.67
MAPT P10636 6/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
POLB P06746 1/20 0.64
HPGD P15428 2/20 0.63
ALPI P09923 1/20 0.62
ALPG P10696 1/20 0.62

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
SCHEMBL7722700 0.86 ALDH1A1 (0.68) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL7717663 0.85 ALDH1A1 (0.66) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL16034740 0.81 ALDH1A1 (0.60) TDP1ALPLKMT2AMEN1GAA
SCHEMBL4251730 0.80 MAPT (1.00) TDP1KMT2AMEN1GAAALDH1A1
SCHEMBL28451182 0.77 ALDH1A1 (0.71) TDP1ALPLKMT2AMEN1GAA
SCHEMBL29178196 0.76 ALDH1A1 (0.62) TDP1KMT2AMEN1GAAALDH1A1
SCHEMBL7159815 0.76 CRHBP (0.68) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL11162721 0.75 MAPT (0.81) TDP1KMT2AMEN1GAAALDH1A1
SCHEMBL394289 0.75 KCNMA1 (0.79) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL18606705 0.75 CA1 (0.69) TDP1ALPLKMT2AMEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 TDP1 1088/4885ALPL 2194/4885KMT2A 929/4885

“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.