SCHEMBL1171206

SCHEMBL1171206

Fc1cc2nc(-c3nc4cc(F)c(F)cc4[nH]3)[nH]c2cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ CBFB Q13951 2/20 0.61
▸ CYP11B2 P19099 1/20 0.54
▸ NPC1 O15118 3/20 0.43
▸ PKM P14618 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AMY1A P0DUB6 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21001246 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL198014 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL7991998 0.77 KDM4E (0.55) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL213270 0.77 KDM4E (0.49) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL14278 0.77 FABP6 (0.59) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL1193108 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL7129415 0.77 KDM4E (0.49) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL124228 0.77 CBFB (1.00) KDM4EHPGDCBFBNPC1PKM
SCHEMBL1482507 0.77 CBFB (0.56) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL14128245 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10CYP1A2CYP3A4

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 11 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
WO-2009123776-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-10-08 — — 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 (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 ALDH1A1 2058/4885KDM4E 4287/4885HSD17B10 2041/4885
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION ZC3HAV1, EIF2AK2, SARS1 ALDH1A1 2238/4885KDM4E 3879/4885HSD17B10 2165/4885

“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.

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