SCHEMBL862913

SCHEMBL862913

CCCCOc1ccc2[nH]c(C(=O)OCC)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
ALDH1A1 P00352 3/20 0.74
HPGD P15428 3/20 0.74
RAB9A P51151 3/20 0.74
NPC1 O15118 2/20 0.74
LMNA P02545 2/20 0.74
HTT P42858 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.67
HRH3 Q9Y5N1 1/20 0.62
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
MMP13 P45452 3/20 0.61
MMP2 P08253 2/20 0.61
BCHE P06276 1/20 0.60

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
SCHEMBL11156280 0.94 KDM4E (0.66) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL2769403 0.92 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL13173588 0.91 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3031260 0.91 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9263164 0.91 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31370745 0.90 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL4815909 0.90 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5472257 0.88 PDGFRB (0.68) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL13853762 0.88 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3027775 0.88 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017061710-A1 NOVEL INDOLE-2-CARBOXYLATE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2017-04-13 WO disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
WO-2012059568-A1 NOVEL WATER-SOLUBLE INDOLOBENZAZEPINE MOLECULES DEMONSTRATING ANTIMITOTIC, ANTIVASCULAR, AND ANTITUMOR ACTIVITIES IN VIVO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-05-10 WO disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 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 (5 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 KDM4E 2071/4885ALDH1A1 2482/4885HPGD 3175/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885ALDH1A1 1792/4885HPGD 2591/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL KDM4E 2085/4885ALDH1A1 1785/4885HPGD 2223/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA KDM4E 1478/4885ALDH1A1 671/4885HPGD 415/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C KDM4E 2386/4885ALDH1A1 1561/4885HPGD 2441/4885

“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.