SCHEMBL15032644

SCHEMBL15032644

CCn1nc(-c2ccc([N+](C)=O)cc2)nc2c(=O)n(C)c(=O)nc1-2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 8/20 0.74
KDM4E B2RXH2 3/20 0.74
MEN1 O00255 3/20 0.74
ALDH1A1 P00352 3/20 0.74
RAF1 P04049 3/20 0.74
MAPT P10636 3/20 0.74
THRB P10828 3/20 0.74
HTT P42858 3/20 0.74
RAB9A P51151 3/20 0.74
GALK1 P51570 3/20 0.74
BLM P54132 3/20 0.74
MAP2K1 Q02750 3/20 0.74
KMT2A Q03164 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
NPSR1 Q6W5P4 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
TP53 P04637 2/20 0.74
HSP90AA1 P07900 2/20 0.74
HSP90AB1 P08238 2/20 0.74
CASP1 P29466 2/20 0.74

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
SCHEMBL15032587 0.91 TDP2 (0.71) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL15034885 0.88 TDP2 (0.81) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL14019967 0.85 TDP2 (1.00) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032641 0.85 TDP2 (0.76) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL3293964 0.85 RAF1 (1.00) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL3294835 0.83 TDP2 (0.82) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032576 0.83 TGM2 (1.00) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL20442139 0.82 TDP2 (0.74) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032588 0.81 TGM2 (0.74) TDP2KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032577 0.78 RAF1 (0.76) TDP2KDM4EMEN1ALDH1A1RAF1

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-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 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-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION TALDO1, PGD, DLD TDP2 3811/4885KDM4E 903/4885MEN1 3731/4885

“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.