Nitric Acid

Nitric Acid

SCHEMBL1616809

COc1cc(NC(=N)N)ccc1-n1cnc(C)c1.O=[N+]([O-])O.O=[N+]([O-])O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.53
PSEN2 P49810 19/20 0.53
APH1B Q8WW43 19/20 0.53
NCSTN Q92542 19/20 0.53
APH1A Q96BI3 19/20 0.53
PSENEN Q9NZ42 19/20 0.53
CYP3A4 P08684 1/20 0.45
QPCTL Q9NXS2 1/20 0.45

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
Nitric Acid SCHEMBL1616813 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL15124771 0.99 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL3430493 0.99 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1726560 0.92 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617375 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617470 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617372 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962517 0.81 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4456548 0.81 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359206 0.79 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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 (4 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 6/4885APH1B 8/4885
US-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 PSEN1 2/4885PSEN2 3/4885APH1B 9/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PSEN1 2/4885PSEN2 7/4885APH1B 4/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PSEN1 2/4885PSEN2 7/4885APH1B 4/4885

“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.