SCHEMBL6429062

SCHEMBL6429062

O=C(Cl)c1occc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
VCAM1 P19320 1/20 0.38
GPR35 Q9HC97 2/20 0.38
HTT P42858 1/20 0.36
CASP6 P55212 1/20 0.36
MAPK1 P28482 1/20 0.34
PLAU P00749 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3083049 0.84 CASP6 (0.44) TDP1TSHRGPR35CASP6LMNA
SCHEMBL3264461 0.82 PARP1 (0.42) ALDH1A1MAPTTSHRGPR35HTT
Ammonia Solution, Strong SCHEMBL30580416 0.82 CASP6 (0.43) TDP1TSHRGPR35CASP6LMNA
SCHEMBL30580417 0.82 CA1 (0.38) ALDH1A1TDP1MAPTVCAM1GPR35
Hydrochloric Acid SCHEMBL6429065 0.82 CASP6 (0.43) TDP1TSHRGPR35CASP6LMNA
SCHEMBL30580418 0.82 CA1 (0.38) ALDH1A1TDP1MAPTGPR35HTT
Potassium Ion SCHEMBL30721056 0.82 CA1 (0.38) ALDH1A1TDP1MAPTVCAM1GPR35
SCHEMBL12559304 0.82 MAPK1 (0.41) ALDH1A1TDP1MAPTTSHRGPR35
SCHEMBL6670434 0.80 ALDH1A1 (0.45) ALDH1A1TDP1MAPTGPR35HTT
SCHEMBL11017953 0.78 CASP6 (0.36) TDP1MAPTTSHRGPR35HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2116/4885TDP1 4560/4885MAPT 4111/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 ALDH1A1 2819/4885TDP1 4394/4885MAPT 3783/4885

“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.