SCHEMBL16657353

SCHEMBL16657353

CC(C)(C)OC(=O)N1CC(Nc2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
DYRK1A Q13627 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
USP30 Q70CQ3 2/20 0.40
GPR119 Q8TDV5 5/20 0.40
PRKCQ Q04759 1/20 0.39
RAB9A P51151 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HASPIN Q8TF76 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL31302455 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL18741618 0.92 MEN1 (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL18741616 0.92 MEN1 (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL31437323 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL31501724 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16895890 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL31001672 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2250932 0.89 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16657349 0.84 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5150576 0.83 MEN1 (0.53) MEN1KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922407-B Respiratory syncytial virus inhibitors 勃林格殷格翰国际有限公司 2020-09-25 CN disclosed
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 EP disclosed
US-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2019-01-03 US disclosed
EP-3328859-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS Medivir AB (SE) 2018-06-06 EP disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
EP-2864323-B1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2017-04-19 EP disclosed
WO-2017018924-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2017-02-02 WO disclosed
WO-2017018924-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2017-02-02 WO disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US 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 (3 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-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS NR0B1, NR1I3, SCARB1 MEN1 1919/4885KMT2A 568/4885ALDH1A1 2424/4885
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ MEN1 4475/4885KMT2A 2786/4885ALDH1A1 2851/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ MEN1 4475/4885KMT2A 2786/4885ALDH1A1 2851/4885

“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.