Nitric Acid

Nitric Acid

SCHEMBL3104675

COc1cc(OC)c2c(=O)cc(-c3ccccc3Cl)oc2c1C1CCN(C)C1CO.O=[N+]([O-])O

nearest known ligand 0.69

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
CDK4 P11802 13/20 0.69
CDK1 P06493 12/20 0.69
CDK9 P50750 11/20 0.69
CDK2 P24941 11/20 0.69
CCND1 P24385 11/20 0.69
CCNT1 O60563 9/20 0.69
CCNB1 P14635 9/20 0.69
CCNA2 P20248 6/20 0.69
CCNE1 P24864 5/20 0.69
CDK6 Q00534 5/20 0.69
CCNB2 O95067 5/20 0.69
CCNB3 Q8WWL7 5/20 0.69
CCND3 P30281 4/20 0.69
GSK3A P49840 4/20 0.69
CDK7 P50613 3/20 0.69
CCNH P51946 2/20 0.69
MNAT1 P51948 2/20 0.69
MAPK15 Q8TD08 2/20 0.69
CAMKK2 Q96RR4 2/20 0.69
CCNA1 P78396 2/20 0.69

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 SCHEMBL3104690 1.00 CDK4 (0.69) CDK4CDK1CDK9CDK2CCND1
SCHEMBL291052 0.95 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
SCHEMBL6524830 0.95 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
SCHEMBL291053 0.95 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
SCHEMBL291051 0.95 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
Hydrochloric Acid SCHEMBL3108717 0.94 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
Hydrochloric Acid SCHEMBL3108728 0.94 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
Hydrochloric Acid SCHEMBL3108722 0.94 CDK4 (0.75) CDK4CDK1CDK9CDK2CCND1
Acetic Acid SCHEMBL3105617 0.92 CDK4 (0.71) CDK4CDK1CDK9CDK2CCND1
Acetic Acid SCHEMBL3105601 0.92 CDK4 (0.71) CDK4CDK1CDK9CDK2CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179210-A1 NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Piramal Enterprises Limited (IN) 2010-07-15 US claimed
EP-2046738-A1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION Piramal Life Sciences Limited (IN) 2009-04-15 EP claimed
WO-2007148158-A1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION PIRAMAL LIFE SCIENCES LIMITED (IN) 2007-12-27 WO claimed
EP-2046738-B1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION PIRAMAL ENTPR LTD (IN) 2014-06-11 EP disclosed
US-8563596-B2 Enantiomerically pure compounds for the treatment of proliferative disorders Piramal Enterprises Limited (IN) 2013-10-22 US disclosed
US-20100179210-A1 NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Piramal Enterprises Limited (IN) 2010-07-15 US disclosed
EP-2046738-A1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION Piramal Life Sciences Limited (IN) 2009-04-15 EP disclosed
WO-2007148158-A1 ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION PIRAMAL LIFE SCIENCES LIMITED (IN) 2007-12-27 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 (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-20100179210-A1 NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CDK2, CDK9, CDK1 CDK4 5/4885CDK1 3/4885CDK9 2/4885

“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.