SCHEMBL6427592

SCHEMBL6427592

COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
ALDH1A1 P00352 3/20 0.68
LMNA P02545 5/20 0.61
HTT P42858 4/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.58
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL6427456 0.90 LMNA (0.56) HPGDALDH1A1LMNAHTTMAPT
SCHEMBL6428110 0.85 MEN1 (0.59) HPGDALDH1A1LMNAHTTMAPK1
SCHEMBL6427707 0.81 LMNA (0.64) ALDH1A1LMNAHTTMAPTMAPK1
SCHEMBL6427470 0.81 KMT2A (0.66) ALDH1A1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL6429005 0.81 PDE7A (0.67) ALDH1A1LMNAHTTMAPTMAPK1
SCHEMBL22822539 0.80 LMNA (0.70) HPGDALDH1A1LMNAHTTMAPT
SCHEMBL6427573 0.80 LMNA (0.73) HPGDALDH1A1LMNAHTTMAPK1
SCHEMBL15319165 0.79 LMNA (0.76) HPGDALDH1A1LMNAHTTMAPK1
SCHEMBL6427127 0.76 MAPT (0.72) ALDH1A1LMNAHTTMAPTMAPK1
SCHEMBL13753324 0.76 LMNA (0.71) ALDH1A1LMNAHTTMAPTKDM4E

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 HPGD 660/4885ALDH1A1 2116/4885LMNA 4363/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 HPGD 632/4885ALDH1A1 2819/4885LMNA 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.