SCHEMBL16657397

SCHEMBL16657397

COc1ccc(Nc2ccncc2[N+](=O)[O-])cc1F

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
GAA P10253 1/20 0.66
ALDH1A1 P00352 6/20 0.63
RAB9A P51151 1/20 0.63
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.45
POLB P06746 1/20 0.44
ALDH3A1 P30838 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL16657367 0.89 HTT (0.70) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL30800007 0.81 HTT (0.67) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL29176301 0.81 HTT (0.67) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL4718392 0.80 HTT (1.00) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL16657398 0.79 GSK3A (0.45) GSK3AGSK3B
SCHEMBL16036541 0.78 ALDH1A1 (1.00) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL16657400 0.77 HTT (0.67) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL16657375 0.76 ALDH1A1 (0.70) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL16657412 0.76 HTT (0.69) HTTGAAALDH1A1RAB9AMAPT
SCHEMBL16657410 0.75 ALDH1A1 (0.74) HTTGAAALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ HTT 2075/4885GAA 2216/4885ALDH1A1 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 HTT 2075/4885GAA 2216/4885ALDH1A1 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.