SCHEMBL3918265

SCHEMBL3918265

O=[N+]([O-])c1ccccc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.62
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CASP7 P55210 1/20 0.62
MAPT P10636 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
GAA P10253 2/20 0.60
PKM P14618 1/20 0.60
EPAS1 Q99814 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MITF O75030 1/20 0.48
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
CASP3 P42574 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4062425 0.85 MAPK1 (0.57) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL16429768 0.83 L3MBTL1 (0.58) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11506844 0.83 ALDH1A1 (0.89) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4926422 0.81 L3MBTL1 (0.49) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL17582857 0.81 MAPK1 (0.56) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4922797 0.81 L3MBTL1 (0.63) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL16657386 0.81 HTT (0.70) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1923203 0.81 MAPT (0.53) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL497006 0.81 MAPK1 (0.73) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL30310075 0.81 MAPK1 (0.68) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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
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
CN-101466693-B Piperidine derivatives as human papilloma virus inhibitors ANACONDA PHARMA 2012-12-12 CN 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-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2009-08-20 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 (4 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 3238/4885ALDH1A1 452/4885TDP1 1151/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 MAPK1 3238/4885ALDH1A1 452/4885TDP1 1151/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 MAPK1 2074/4885ALDH1A1 123/4885TDP1 2991/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 MAPK1 2332/4885ALDH1A1 138/4885TDP1 2966/4885

“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.