SCHEMBL1170768

SCHEMBL1170768

Clc1cccc2[nH]c(-c3nc4c(Cl)cccc4[nH]3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
PSMB8 P28062 1/20 0.59
GAA P10253 7/20 0.57
MGAM O43451 6/20 0.57
SI P14410 6/20 0.57
MGAM2 Q2M2H8 6/20 0.57
PARP1 P09874 3/20 0.50
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
NUDT1 P36639 1/20 0.46
P2RY6 Q15077 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL2491052 0.85 ADORA1 (0.56) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL66295 0.83 PSMB8 (0.59) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL4715207 0.80 GAA (0.54) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL19643484 0.80 PKN1 (0.61) ADORA1ADORA3GAAMGAMSI
SCHEMBL11739880 0.79 PSMB8 (0.56) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL8265192 0.79 PARP1 (0.59) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL1422525 0.79 PSMB8 (0.56) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL31534795 0.79 PSMB8 (0.56) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL215756 0.79 NUDT1 (0.70) ADORA1ADORA3PSMB8GAAMGAM
SCHEMBL22452316 0.79 HDAC6 (0.60) ADORA1ADORA3GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection SIGA TECHNOLOGIES, INC. (US) 2014-04-10 US claimed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US claimed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US claimed
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection SIGA TECHNOLOGIES, INC. (US) 2014-04-10 US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 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-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection HAVCR2, ZC3HAV1, SARS1 ADORA1 2573/4885ADORA3 1503/4885PSMB8 3450/4885
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION ZC3HAV1, EIF2AK2, SARS1 ADORA1 3974/4885ADORA3 3059/4885PSMB8 2806/4885

“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.