SCHEMBL6449922

SCHEMBL6449922

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

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.72
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
MAPT P10636 3/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
PTPN1 P18031 1/20 0.57
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.52
STING1 Q86WV6 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
SCHEMBL6427573 0.88 LMNA (0.73) CASP6KMT2AMEN1RAB9AALDH1A1
SCHEMBL6427127 0.84 MAPT (0.72) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6428395 0.84 CASP6 (0.68) CASP6MAPTRAB9AALDH1A1LMNA
SCHEMBL6427130 0.81 MEN1 (1.00) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6360182 0.80 LMNA (0.68) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6428110 0.79 MEN1 (0.59) CASP6KMT2AMEN1RAB9AALDH1A1
SCHEMBL13753324 0.77 LMNA (0.71) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8846633 0.76 LMNA (0.59) CASP6KMT2AMEN1RAB9AALDH1A1
SCHEMBL15618832 0.75 RAB9A (0.77) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6427707 0.75 LMNA (0.64) KMT2AMEN1MAPTRAB9AALDH1A1

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 2 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
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 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-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 CASP6 3626/4885KMT2A 2476/4885MEN1 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.