SCHEMBL6427573

SCHEMBL6427573

COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.73
HTT P42858 4/20 0.73
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
HPGD P15428 4/20 0.67
ALDH1A1 P00352 1/20 0.65
CASP6 P55212 1/20 0.60
POLB P06746 3/20 0.59
RAB9A P51151 4/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
NPC1 O15118 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
CACNA1B Q00975 1/20 0.57

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
SCHEMBL6449922 0.88 CASP6 (0.72) LMNAHTTMEN1KMT2AHPGD
SCHEMBL6428110 0.84 MEN1 (0.59) LMNAHTTMEN1KMT2AHPGD
SCHEMBL6427130 0.84 MEN1 (1.00) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL6427707 0.83 LMNA (0.64) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL15319165 0.83 LMNA (0.76) LMNAHTTMEN1KMT2AHPGD
SCHEMBL6428088 0.83 LMNA (0.76) LMNAHTTMEN1KMT2AHPGD
SCHEMBL6428768 0.83 LMNA (0.76) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL6429005 0.82 PDE7A (0.67) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL13753324 0.80 LMNA (0.71) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL6427592 0.80 HPGD (0.68) LMNAHTTMEN1KMT2AHPGD

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 LMNA 4363/4885HTT 3005/4885MEN1 4703/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 LMNA 4276/4885HTT 3045/4885MEN1 4749/4885

“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.