SCHEMBL1814815

SCHEMBL1814815

CCC(N)(N)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TBXAS1 P24557 5/20 0.37
NFKB1 P19838 1/20 0.36
QPCT Q16769 1/20 0.36
HSD17B10 Q99714 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
CYP19A1 P11511 4/20 0.35
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL28928798 0.76 CYP17A1 (0.44) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
SCHEMBL12115795 0.76 CYP17A1 (0.44) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
SCHEMBL4338960 0.76 TBXAS1 (0.49) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
SCHEMBL4066404 0.75
SCHEMBL10654788 0.75
SCHEMBL11448112 0.74 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
SCHEMBL28023186 0.74 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
Bromide SCHEMBL28286964 0.74 TBXAS1 (0.47) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
Iodide SCHEMBL27677678 0.74 TBXAS1 (0.47) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1
Hydrochloric Acid SCHEMBL28328253 0.74 TBXAS1 (0.50) CYP17A1CYP11B1CYP11B2TBXAS1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524663-A1 IMIDAZOLE CONTAINING QUATERNARY AMMONIUM SALTS The Lubrizol Corporation (US) 2019-08-14 EP disclosed
US-20170114297-A1 IMIDAZOLE CONTAINING QUATERNARY AMMONIUM SALTS THE LUBRIZOL CORPORATION 2017-04-27 US disclosed
CN-106574198-A Imidazole containing quaternary ammonium salts 路博润公司 2017-04-19 CN disclosed
US-20110230481-A2 DERIVATIVES OF TETRABROMOBENZIMIDAZOLE, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, A METHOD OF USING THE SAME, A METHOD FOR MODULATING OR REGULATING SERINE/THREONINE KINASES, AND SERINE/THREONINE KINASES MODULATING AGENT SELVITA S.A. (PL) 2011-09-22 US disclosed
EP-2366695-A1 A compound, a process for its preparation, a pharmaceutical composition, use of a compound, a method for modulating or regulating serine/threonine kinases and a serine/threonine kinases modulating agent SELVITA S.A. (PL) 2011-09-21 EP disclosed
EP-2193204-B1 COMPOSITIONS COMPRISING LIPOPHOSPHORAMIDES AND THEIR USES IN GENE THERAPY UNIV BRETAGNE OCCIDENTALE (FR) 2011-08-31 EP disclosed
US-20110112091-A1 DERIVATIVES OF TETRABROMOBENZIMIDAZOLE, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, A METHOF OF USING THE SAME, A METHOD FOR MODULATING OR REGULATING SERINE/THREONINE KINASES, AND SERINE/THREONINE KINASES MODULATING AGENT SELVITA SP. Z O.O. (PL) 2011-05-12 US disclosed
EP-2193204-A2 NOVEL LIPOPHILIC COMPOSITIONS AND USES THEREOF Universite de Bretagne Occidentale (FR) 2010-06-09 EP disclosed
WO-2009050372-A2 NOVEL LIPOPHILIC COMPOSITIONS AND USES THEREOF UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2009-04-23 WO disclosed
EP-1378230-B1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres OREAL (FR) 2007-11-14 EP disclosed
EP-1378230-A1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres L'OREAL (FR) 2004-01-07 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 (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-20110112091-A1 DERIVATIVES OF TETRABROMOBENZIMIDAZOLE, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, A METHOF OF USING THE SAME, A METHOD FOR MODULATING OR REGULATING SERINE/THREONINE KINASES, AND SERINE/THREONINE KINASES MODULATING AGENT PIM1, PIM2, PIM3 CYP17A1 2960/4885CYP11B1 1971/4885CYP11B2 2367/4885
US-20110230481-A2 DERIVATIVES OF TETRABROMOBENZIMIDAZOLE, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, A METHOD OF USING THE SAME, A METHOD FOR MODULATING OR REGULATING SERINE/THREONINE KINASES, AND SERINE/THREONINE KINASES MODULATING AGENT PIM1, PIM2, PIM3 CYP17A1 2266/4885CYP11B1 1658/4885CYP11B2 1786/4885

“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.