SCHEMBL3911376

SCHEMBL3911376

O=[N+]([O-])c1ccccc1Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPK1 P28482 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CASP7 P55210 1/20 0.62
GAA P10253 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 1/20 0.60
EPAS1 Q99814 1/20 0.56
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 2/20 0.53
HSPB1 P04792 2/20 0.51
ALDH3A1 P30838 1/20 0.49
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL30379894 0.91 ALDH1A1 (0.74) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL1337891 0.91 ALDH1A1 (0.74) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL497006 0.90 MAPK1 (0.73) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL3912077 0.86 L3MBTL1 (0.62) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL21463826 0.84 ALDH1A1 (0.60) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL4606261 0.83 MAPK1 (0.55) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11506844 0.83 ALDH1A1 (0.89) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL6656393 0.82 MAPK1 (0.62) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL3913669 0.81 MAPK1 (0.68) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL30310075 0.81 MAPK1 (0.68) ALDH1A1MAPK1TDP1L3MBTL1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-9974779-B2 Piperidine derivatives as human papilloma virus inhibitors VAXART, INC. (US) 2018-05-22 US disclosed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 US disclosed
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS VAXART, INC. 2018-01-25 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 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
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 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 (6 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 452/4885MAPK1 3238/4885TDP1 1151/4885
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 ALDH1A1 784/4885MAPK1 3007/4885TDP1 3969/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 ALDH1A1 452/4885MAPK1 3238/4885TDP1 1151/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 ALDH1A1 123/4885MAPK1 2074/4885TDP1 2991/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 ALDH1A1 138/4885MAPK1 2332/4885TDP1 2966/4885
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 ALDH1A1 784/4885MAPK1 3007/4885TDP1 3969/4885

“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.