Nitric Acid

Nitric Acid

SCHEMBL1956808

COc1ccc(/C(C#N)=C/c2ccc(N3CCN(CCO)CC3)s2)cc1OC.O=[N+]([O-])O

nearest known ligand 0.63

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 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.63
▸ ABCG2 Q9UNQ0 1/20 0.63
▸ PDE4B Q07343 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 6/20 0.35
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ TLR9 Q9NR96 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
Nitric Acid SCHEMBL1956810 1.00 ABCB1 (0.63) ABCB1ABCG2PDE4BALDH1A1LMNA
SCHEMBL1956943 0.94 ABCB1 (0.71) ABCB1ABCG2PDE4BALDH1A1LMNA
SCHEMBL1956947 0.94 ABCB1 (0.71) ABCB1ABCG2PDE4BALDH1A1LMNA
Hydrochloric Acid SCHEMBL1959914 0.93 ABCB1 (0.69) ABCB1ABCG2PDE4BALDH1A1LMNA
Hydrochloric Acid SCHEMBL1959916 0.93 ABCB1 (0.69) ABCB1ABCG2PDE4BALDH1A1LMNA
Sulfuric Acid SCHEMBL1960854 0.91 ABCB1 (0.65) ABCB1ABCG2PDE4BALDH1A1LMNA
Sulfuric Acid SCHEMBL1960857 0.91 ABCB1 (0.65) ABCB1ABCG2PDE4BALDH1A1LMNA
SCHEMBL1960897 0.90 ABCB1 (0.64) ABCB1ABCG2PDE4BALDH1A1LMNA
SCHEMBL1960902 0.90 ABCB1 (0.64) ABCB1ABCG2PDE4BALDH1A1LMNA
SCHEMBL4514125 0.89 ABCB1 (0.62) ABCB1ABCG2PDE4BALDH1A1LMNA

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
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 ABCB1 2/4885ABCG2 7/4885PDE4B 4786/4885

“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.

Send feedback