SCHEMBL6429005

SCHEMBL6429005

COc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.67
PDE3A Q14432 2/20 0.67
LMNA P02545 8/20 0.63
HTT P42858 4/20 0.63
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
PAX8 Q06710 1/20 0.49
MITF O75030 3/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL6427707 0.89 LMNA (0.64) PDE7APDE3ALMNAHTTNFKB1
SCHEMBL6427456 0.82 LMNA (0.56) PDE7APDE3ALMNAHTTNFKB1
SCHEMBL6427573 0.82 LMNA (0.73) LMNAHTTNFKB1NFKB2RELA
SCHEMBL6427127 0.81 MAPT (0.72) LMNAHTTMEN1KMT2APOLB
SCHEMBL6427592 0.81 HPGD (0.68) LMNAHTTNFKB1NFKB2RELA
SCHEMBL6428110 0.80 MEN1 (0.59) LMNAHTTNFKB1NFKB2RELA
SCHEMBL6428088 0.76 LMNA (0.76) LMNAHTTNFKB1NFKB2RELA
SCHEMBL6428768 0.76 LMNA (0.76) LMNAHTTNFKB1NFKB2RELA
SCHEMBL15319165 0.76 LMNA (0.76) LMNAHTTNFKB1NFKB2RELA
SCHEMBL13753324 0.76 LMNA (0.71) LMNAHTTNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US claimed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 WO claimed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US disclosed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 WO 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 (2 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 PDE7A 2125/4885PDE3A 3451/4885LMNA 4363/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 PDE7A 2175/4885PDE3A 3248/4885LMNA 4276/4885

“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.