SCHEMBL3908485

SCHEMBL3908485

Cc1cc(Nc2c(C)cccc2[N+](=O)[O-])ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNMA1 Q12791 1/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3911920 0.84 TSHR (0.49) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL31047229 0.84 TSHR (0.49) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL9995265 0.82 MEN1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11900645 0.79 CXCR2 (0.58) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL31047216 0.78 TSHR (0.43) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL27143115 0.78 TSHR (0.45) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL22600041 0.76 KMT2A (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL2772541 0.76 ALDH1A1 (0.67) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL28492231 0.75 SMN1; SMN2 (0.45) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL2773784 0.75 MEN1 (0.49) MEN1KMT2ASMN1; SMN2TSHRALDH1A1

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 12 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
CN-101466693-A Piperidine derivatives as human papilloma virus inhibitors ANACONDA PHARMA (FR) 2009-06-24 CN 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 3026/4885RAB9A 1508/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 MEN1 4136/4885KMT2A 3026/4885RAB9A 1508/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 MEN1 4638/4885KMT2A 1518/4885RAB9A 2234/4885
US-20120220633-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, CBR3, CBR1 MEN1 4720/4885KMT2A 1333/4885RAB9A 2463/4885

“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.