SCHEMBL497006

SCHEMBL497006

O=[N+]([O-])c1ccccc1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.73
TDP1 Q9NUW8 4/20 0.73
L3MBTL1 Q9Y468 4/20 0.73
ALDH1A1 P00352 4/20 0.73
CASP7 P55210 1/20 0.73
MAPT P10636 7/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
GAA P10253 3/20 0.65
PKM P14618 1/20 0.65
POLB P06746 3/20 0.53
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
EPAS1 Q99814 1/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 1/20 0.48
HTT P42858 1/20 0.48
HCAR3 P49019 1/20 0.48
PGR P06401 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
SCHEMBL3911376 0.90 ALDH1A1 (0.62) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL3912077 0.90 L3MBTL1 (0.62) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL21463826 0.88 ALDH1A1 (0.60) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL3919771 0.87 TDP1 (0.67) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL11506844 0.87 ALDH1A1 (0.89) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL230292 0.85 TDP1 (1.00) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL31333098 0.85 TDP1 (1.00) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL30310075 0.84 MAPK1 (0.68) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL3913669 0.84 MAPK1 (0.68) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL4606261 0.84 MAPK1 (0.55) MAPK1TDP1L3MBTL1ALDH1A1CASP7

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974779-B2 Piperidine derivatives as human papilloma virus inhibitors VAXART, INC. (US) 2018-05-22 US disclosed
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS VAXART, INC. 2018-01-25 US disclosed
US-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS AVIRAGEN THERAPEUTICS INC (US) 2017-03-23 US disclosed
US-9452991-B2 Piperidine derivatives as human papilloma virus inhibitors AVIRAGEN THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
EP-2024350-B1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2013-09-18 EP disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2011-06-23 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2009-08-20 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
EP-2024350-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS Anaconda Pharma (FR) 2009-02-18 EP disclosed
WO-2007135106-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2007-11-29 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 (5 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-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 MAPK1 3238/4885TDP1 1151/4885L3MBTL1 4048/4885
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI MAPK1 1644/4885TDP1 1495/4885L3MBTL1 3409/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 MAPK1 3238/4885TDP1 1151/4885L3MBTL1 4048/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 MAPK1 2074/4885TDP1 2991/4885L3MBTL1 1486/4885
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI MAPK1 1644/4885TDP1 1495/4885L3MBTL1 3409/4885

“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.