SCHEMBL3908693

SCHEMBL3908693

Cc1cccc([N+](=O)[O-])c1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.43
CHRNA7 P36544 1/20 0.42
TSHR P16473 2/20 0.42
KCNMA1 Q12791 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL2772541 0.84 ALDH1A1 (0.67) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3915052 0.82 HSPB1 (0.47) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL11900645 0.79 CXCR2 (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3918265 0.79 MAPK1 (0.62) MEN1KMT2AMAPTTP53CASP3
SCHEMBL3911920 0.78 TSHR (0.49) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL31047229 0.78 TSHR (0.49) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL4241741 0.77 ALDH1A1 (0.51) MAPTALDH1A1CHRNA7
SCHEMBL2773784 0.75 MEN1 (0.49) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3908318 0.74 CXCR2 (0.47) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL2773787 0.74 KCNMA1 (0.45) MEN1KMT2AMAPTHTTNPSR1

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 MEN1 4136/4885KMT2A 3026/4885MAPT 3116/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 MEN1 4136/4885KMT2A 3026/4885MAPT 3116/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 MEN1 4638/4885KMT2A 1518/4885MAPT 4765/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 MEN1 4720/4885KMT2A 1333/4885MAPT 4671/4885

“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.