SCHEMBL1170818

SCHEMBL1170818

COc1cccc2[nH]c(-c3nc4c(OC)cccc4[nH]3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.69
ALDH1A1 P00352 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
HPSE Q9Y251 2/20 0.61
PARP1 P09874 5/20 0.54
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
MAOB P27338 1/20 0.51
ADORA2A P29274 1/20 0.51
PDE5A O76074 2/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL28027630 0.88 HPSE (0.65) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL29625822 0.88 HPSE (0.65) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL20597842 0.85 MGAM (0.68) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL5202010 0.85 CBFB (0.58) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL124275 0.84 CBFB (0.68) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL124235 0.84 CBFB (0.68) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL4611125 0.83 ALDH1A1 (0.55) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL4420446 0.83 ALDH1A1 (0.55) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL9045167 0.83 PARP1 (0.60) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL125229 0.83 CBFB (1.00) CBFBALDH1A1TP53CYP3A4CYP2D6

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 12 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
EP-2240023-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION Siga Technologies, Inc. (US) 2010-10-20 EP claimed
WO-2009123776-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-10-08 WO 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 CBFB 1223/4885ALDH1A1 2058/4885TP53 1656/4885
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION ZC3HAV1, EIF2AK2, SARS1 CBFB 3019/4885ALDH1A1 2238/4885TP53 2872/4885

“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.