SCHEMBL2056879

SCHEMBL2056879

Nc1ccc(C([N+](=O)[O-])[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.41
CA9 Q16790 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 6/20 0.40
SERPINH1 P50454 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
AGTR1 P30556 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
TSHR P16473 5/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL11086103 0.98 ALDH1A1 (0.48) ALDH1A1MAPTCA9KMT2AMEN1
SCHEMBL30810850 0.87 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL4087041 0.77 ALDH1A1 (0.46) ALDH1A1MAPTCA9KMT2AMEN1
SCHEMBL8838581 0.76 ESR1 (0.42) ALDH1A1MAPTCA9KMT2AMEN1
SCHEMBL10336137 0.76 ALDH1A1 (0.46) ALDH1A1MAPTCA9KMT2AMEN1
SCHEMBL8510918 0.75 LMNA (0.46) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL146897 0.75 LMNA (0.46) ALDH1A1MAPTKMT2AMEN1TDP1
Silver SCHEMBL28878173 0.73 ALDH1A1 (0.65) ALDH1A1MAPTCA9KMT2AMEN1
SCHEMBL11696138 0.73 LMNA (0.44) ALDH1A1MAPTKMT2AMEN1TDP1
Fluoride SCHEMBL27406526 0.73 LMNA (0.44) ALDH1A1MAPTKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6719902-B1 TREATING AN ENVIRONMENTAL SITE WITH AN EFFECTIVE AMOUNT OF A COMPOSITION COMPRISING ONE OR MORE HYDROGENOTROPHIC BACTERIA AND ZERO-VALENT IRON THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-04-13 US claimed
WO-1998049106-A1 FE(O)-BASED BIOREMEDIATION OF AQUIFERS CONTAMINATED WITH MIXED WASTES THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-11-05 WO claimed
US-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2011-03-03 US disclosed
WO-2009026184-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2009-02-26 WO disclosed
US-6719902-B1 TREATING AN ENVIRONMENTAL SITE WITH AN EFFECTIVE AMOUNT OF A COMPOSITION COMPRISING ONE OR MORE HYDROGENOTROPHIC BACTERIA AND ZERO-VALENT IRON THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-04-13 US disclosed
WO-1998049106-A1 FE(O)-BASED BIOREMEDIATION OF AQUIFERS CONTAMINATED WITH MIXED WASTES THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-11-05 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 (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-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION TET1, ALKBH1, NQO1 ALDH1A1 127/4885MAPT 3674/4885CA9 597/4885

“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.