SCHEMBL2116109

SCHEMBL2116109

CCCCCc1nnc(NC(=O)Cc2ccsc2)s1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 18/20 0.88
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
GAPDH P04406 1/20 0.65
POLB P06746 1/20 0.65
ALOX15 P16050 1/20 0.65
NR4A1 P22736 1/20 0.65
APEX1 P27695 1/20 0.65
PTPN7 P35236 1/20 0.65
BLM P54132 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL14987422 0.94 GLS (1.00) GLS
SCHEMBL15043793 0.83 GLS (1.00) GLS
SCHEMBL3418239 0.79 POLB (1.00) GLSMEN1KMT2AGAPDHPOLB
SCHEMBL14987110 0.77 GLS (1.00) GLS
SCHEMBL21368695 0.77 GLS (0.88) GLS
SCHEMBL15727698 0.76 GLS (1.00) GLS
SCHEMBL15724900 0.76 GLS (1.00) GLS
SCHEMBL14987147 0.76 GLS (1.00) GLS
SCHEMBL15727692 0.75 GLS (0.78) GLS
SCHEMBL14987560 0.75 GLS (1.00) GLS

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-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 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-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM GLS 157/4885MEN1 1901/4885KMT2A 848/4885

“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.