SCHEMBL2772541

SCHEMBL2772541

COc1ccc(Nc2c(C)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 6/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 3/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
IDO1 P14902 1/20 0.48
ALDH3A1 P30838 1/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL3915052 0.84 HSPB1 (0.47) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL3908693 0.84 MEN1 (0.46) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11900645 0.83 CXCR2 (0.58) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL3911920 0.82 TSHR (0.49) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL31047229 0.82 TSHR (0.49) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL16862294 0.81 MAPT (0.56) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL13809404 0.81 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL28493799 0.80 MEN1 (0.54) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL2773784 0.79 MEN1 (0.49) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL3908318 0.78 CXCR2 (0.47) ALDH1A1MAPTMAPK1TDP1L3MBTL1

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-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
EP-2220062-B9 NEW HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ANACONDA PHARMA (FR) 2017-03-15 EP disclosed
US-9452991-B2 Piperidine derivatives as human papilloma virus inhibitors AVIRAGEN THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
EP-2220062-B1 NEW HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ANACONDA PHARMA (FR) 2016-08-17 EP disclosed
EP-2024350-B1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2013-09-18 EP disclosed
US-8440833-B2 Human papilloma virus inhibitors and pharmaceutical compositions containing same ANACONDA PHARMA (FR) 2013-05-14 US disclosed
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2012-08-30 US disclosed
US-8207373-B2 Benzoic acid derivatives as human papilloma virus inhibitors ANACONDA PHARMA (FR) 2012-06-26 US disclosed
US-20100286162-A1 HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME BIOTA PHARMACEUTICALS, INC. 2010-11-11 US disclosed
EP-2220062-A1 NEW HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Anaconda Pharma (FR) 2010-08-25 EP disclosed
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2009-08-20 US disclosed
WO-2009065893-A1 NEW HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ANACONDA PHARMA (FR) 2009-05-28 WO 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 ALDH1A1 452/4885MAPT 3116/4885MAPK1 3238/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 ALDH1A1 452/4885MAPT 3116/4885MAPK1 3238/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 ALDH1A1 123/4885MAPT 4765/4885MAPK1 2074/4885
US-20100286162-A1 HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NR4A1, NR4A3, NCOA3 ALDH1A1 3461/4885MAPT 3235/4885MAPK1 2357/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 ALDH1A1 138/4885MAPT 4671/4885MAPK1 2332/4885

“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.