SCHEMBL9977937

SCHEMBL9977937

CC(C)(C)C(=O)OCCCCn1c(CO)nc2nc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
TP53 P04637 5/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL9978077 0.83 MAPT (0.38) SMN1; SMN2TP53POLBMAPTRAB9A
SCHEMBL9978068 0.76 CYP3A4 (0.53)
SCHEMBL16657416 0.76 SMN1; SMN2 (0.39) SMN1; SMN2TP53POLBMAPTRAB9A
SCHEMBL6500982 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TP53POLBMAPTRAB9A
SCHEMBL19861773 0.76 CYP3A4 (0.32) SMN1; SMN2TP53POLBMAPT
SCHEMBL9978109 0.74 SMN1; SMN2 (0.37) SMN1; SMN2TP53POLBRAB9ANPC1
SCHEMBL6493461 0.72 SMN1; SMN2 (0.40) SMN1; SMN2TP53POLBMAPTRAB9A
SCHEMBL9978055 0.68 MAPT (0.37) SMN1; SMN2TP53POLBMAPTRAB9A
SCHEMBL23100556 0.66 CNR1 (0.37) SMN1; SMN2TP53POLBMAPTMEN1
SCHEMBL17194359 0.63 HSP90B1 (0.33)

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 SMN1; SMN2 161/4885TP53 2157/4885POLB 91/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L SMN1; SMN2 182/4885TP53 1918/4885POLB 79/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L SMN1; SMN2 182/4885TP53 1918/4885POLB 79/4885

“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.