SCHEMBL9978032

SCHEMBL9978032

COCCCNc1cccnc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 7/20 0.44
KMT2A Q03164 4/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALPG P10696 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
MEN1 O00255 1/20 0.40
KAT2B Q92831 1/20 0.40
NSD2 O96028 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL19897482 0.85 MAPT (0.46) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL8600652 0.83 HCAR3 (0.46) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL9978083 0.80 PKM (0.41) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL7697934 0.79 MAPT (0.59) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL2483154 0.78 SMN1; SMN2 (0.46) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL7745470 0.77 ALDH1A1 (0.66) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL9977872 0.76 BACE1 (0.50) ALDH1A1L3MBTL1HTTSMN1; SMN2HSD17B10
SCHEMBL1420999 0.75 LMNA (0.70) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL739875 0.74 MAPT (0.58) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL20703612 0.74 KMT2A (0.43) ALDH1A1LMNAL3MBTL1HTTMAPT

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
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 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 (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-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS AZI2, ZC3HAV1, ZC3HAV1L ALDH1A1 1885/4885LMNA 3136/4885L3MBTL1 4670/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L ALDH1A1 2104/4885LMNA 2827/4885L3MBTL1 4662/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L ALDH1A1 2104/4885LMNA 2827/4885L3MBTL1 4662/4885

“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.