SCHEMBL6429668

SCHEMBL6429668

COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
POLB P06746 2/20 0.59
PKM P14618 1/20 0.59
MITF O75030 1/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 1/20 0.55
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL6429461 0.87 POLB (0.70) TDP1POLBPKMMITFALDH1A1
SCHEMBL6429493 0.84 ALDH1A1 (0.60) TDP1POLBPKMMITFALDH1A1
SCHEMBL6427583 0.79 POLB (0.74) TDP1POLBPKMMITFALDH1A1
SCHEMBL6428110 0.78 MEN1 (0.59) TDP1POLBPKMALDH1A1GAA
SCHEMBL6429133 0.77 POLB (0.71) TDP1POLBPKMMITFALDH1A1
SCHEMBL6427163 0.75 ALDH1A1 (0.62) TDP1POLBPKMALDH1A1KMT2A
SCHEMBL12443384 0.75 ALDH1A1 (0.62) TDP1POLBPKMALDH1A1KDM4E
SCHEMBL6428095 0.74 ALDH1A1 (0.61) ALDH1A1
SCHEMBL6427991 0.73 MITF (0.64) TDP1POLBPKMMITFALDH1A1
SCHEMBL6429606 0.73 ALDH1A1 (0.56) TDP1POLBPKMALDH1A1KDM4E

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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 TDP1 4560/4885POLB 2506/4885PKM 3371/4885

“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.