SCHEMBL4236223

SCHEMBL4236223

COC(=O)c1c[nH]c2cc(OC)ccc12

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.78
MAPT P10636 6/20 0.69
TUBB1 Q9H4B7 2/20 0.68
CREBBP Q92793 1/20 0.62
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
ALOX15 P16050 2/20 0.55
NPC1 O15118 1/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL31501108 1.00 NR4A2 (0.78) NR4A2MAPTTUBB1CREBBPALDH1A1
SCHEMBL5068806 0.88 NR4A2 (1.00) NR4A2MAPTCREBBPALDH1A1KDM4E
SCHEMBL30075344 0.87 MAPT (0.73) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL590922 0.87 MAPT (0.73) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL12480809 0.86 MAPT (0.71) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL31451463 0.85 MAPT (0.67) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL4780483 0.85 MAPT (0.63) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL6029910 0.85 MAPT (0.66) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL3660284 0.84 MAPT (0.69) NR4A2MAPTTUBB1ALDH1A1KDM4E
SCHEMBL27273111 0.84 MAPT (0.74) NR4A2MAPTTUBB1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6166672-A None JP disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
JP-H06166672-A NEW METHOD FOR PRODUCTION 6-METHOXYINDOLE DERIVATIVE MITSUI TOATSU CHEM INC 1994-06-14 JP 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885MAPT 1235/4885TUBB1 1737/4885
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C NR4A2 2855/4885MAPT 1403/4885TUBB1 1652/4885

“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.