SCHEMBL6429461

SCHEMBL6429461

COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
PKM P14618 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
ALDH1A1 P00352 3/20 0.61
TSHR P16473 1/20 0.58
MITF O75030 2/20 0.57
ABCC1 P33527 2/20 0.55
ABCB1 P08183 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LSS P48449 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL6429493 0.88 ALDH1A1 (0.60) POLBPKMTDP1ALDH1A1MITF
SCHEMBL6427583 0.87 POLB (0.74) POLBPKMTDP1ALDH1A1TSHR
SCHEMBL6429668 0.87 TDP1 (0.59) POLBPKMTDP1ALDH1A1MITF
SCHEMBL6427163 0.86 ALDH1A1 (0.62) POLBPKMTDP1ALDH1A1ABCC1
SCHEMBL12443384 0.86 ALDH1A1 (0.62) POLBPKMTDP1ALDH1A1TSHR
SCHEMBL6429133 0.85 POLB (0.71) POLBPKMTDP1ALDH1A1TSHR
SCHEMBL6428095 0.85 ALDH1A1 (0.61) ALDH1A1CA12CA1CA2CA7
SCHEMBL31349231 0.83 POLB (0.56) POLBPKMTDP1ALDH1A1MAPT
SCHEMBL31349252 0.83 KCNJ1 (0.53) POLBPKMTDP1ALDH1A1TSHR
SCHEMBL6427441 0.82 ALDH1A1 (0.55) POLBPKMTDP1ALDH1A1MITF

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 POLB 2506/4885PKM 3371/4885TDP1 4560/4885

“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.