SCHEMBL6428110

SCHEMBL6428110

COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HTT P42858 4/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TAS1R3 Q7RTX0 1/20 0.51

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
SCHEMBL6427592 0.85 HPGD (0.68) MEN1KMT2AHTTLMNAPOLB
SCHEMBL6427573 0.84 LMNA (0.73) MEN1KMT2AHTTLMNAPOLB
SCHEMBL6427707 0.81 LMNA (0.64) MEN1KMT2AHTTLMNAPOLB
SCHEMBL6429005 0.80 PDE7A (0.67) MEN1KMT2AHTTLMNAPOLB
SCHEMBL6427456 0.80 LMNA (0.56) MEN1KMT2AHTTLMNAPOLB
SCHEMBL16840366 0.79 TAS1R3 (0.58) HTTLMNAPOLBGAANPC1
SCHEMBL6449922 0.79 CASP6 (0.72) MEN1KMT2AHTTLMNANPC1
SCHEMBL6429668 0.78 TDP1 (0.59) MEN1KMT2AHTTPOLBGAA
SCHEMBL16840300 0.77 HPGD (0.69) MEN1KMT2AHTTLMNAGAA
SCHEMBL6427127 0.76 MAPT (0.72) MEN1KMT2AHTTLMNAPOLB

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 MEN1 4703/4885KMT2A 2545/4885HTT 3005/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 MEN1 4749/4885KMT2A 2476/4885HTT 3045/4885

“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.