Sugi Predict

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SCHEMBL10069908

SCHEMBL10069908

CCCCOc1c(C(=O)OC)nc2c(I)cc(N(C)C)cn2c1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ SLC6A5 Q9Y345 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ ALPL P05186 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ PLA2G2A P14555 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10070928 0.86 ESR1 (0.33) ESR1MAOAMAOBCNR2TLR7
SCHEMBL10069877 0.86 THRA (0.34) SMN1; SMN2ESR1MAOAMAOBCNR2
SCHEMBL368945 0.83 HPGD (0.44) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL368060 0.83 POLB (0.33) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10071001 0.83 SYK (0.35) MAOAMAOB
SCHEMBL10070091 0.82 — —
SCHEMBL10070992 0.81 TYK2 (0.31) SLC6A5
SCHEMBL369105 0.81 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMAPK1RAB9A
SCHEMBL10071004 0.80 — —
SCHEMBL10069924 0.76 PDE4B (0.39) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 — — US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 — — US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 — — US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 — — WO disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 — — US disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 — — 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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 KDM4E 3054/4885NPC1 52/4885ALDH1A1 702/4885
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 KDM4E 2788/4885NPC1 116/4885ALDH1A1 1686/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 KDM4E 3054/4885NPC1 52/4885ALDH1A1 702/4885

“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.