SCHEMBL1170729

SCHEMBL1170729

COc1ccc2[nH]c(-c3nc4cc(OC)ccc4[nH]3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ HPGD P15428 4/20 0.57
▸ TP53 P04637 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ PKM P14618 4/20 0.56
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ POLB P06746 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ AMY1A P0DUB6 3/20 0.54
▸ PDPK1 O15530 1/20 0.53
▸ MAPT P10636 2/20 0.52

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
SCHEMBL8108604 0.92 NPC1 (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4496832 0.88 NPC1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2324292 0.87 NPC1 (0.78) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4813791 0.87 NPC1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL179157 0.85 NPC1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL179162 0.85 MGAM (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30108052 0.85 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL179155 0.84 CBFB (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL179158 0.84 CBFB (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6262977 0.84 NPC1 (0.79) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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 2058/4885NPC1 54/4885RAB9A 3129/4885
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION ZC3HAV1, EIF2AK2, SARS1 ALDH1A1 2238/4885NPC1 164/4885RAB9A 2703/4885

“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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