SCHEMBL3896544

SCHEMBL3896544

[Pd].c1coc(P(c2ccco2)c2ccco2)c1.c1coc(P(c2ccco2)c2ccco2)c1.c1coc(P(c2ccco2)c2ccco2)c1.c1coc(P(c2ccco2)c2ccco2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
POLB P06746 6/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
PKM P14618 3/20 0.35
PTPN7 P35236 3/20 0.35
BLM P54132 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RECQL P46063 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL2214228 1.00 TP53 (0.39) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL41028 0.97 TP53 (0.41) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL4102518 0.94 TP53 (0.39) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL7600624 0.94 TP53 (0.39) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL29156768 0.83 CYP3A4 (0.48) TP53POLBKMT2APKMPTPN7
SCHEMBL28129894 0.83 TP53 (0.32) TP53
SCHEMBL4418220 0.83 CYP3A4 (0.55) TP53POLBKMT2APKMPTPN7
SCHEMBL1579329 0.79 TDP1 (0.50) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL619505 0.79 TDP1 (0.50) TP53POLBKMT2AALDH1A1MEN1
SCHEMBL1784193 0.77 TP53 (0.39) TP53POLBKMT2AALDH1A1MEN1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628030-B1 2,3,4,5-TETRAHYDRO-1H --3-BENZAZEPINES HAVING ANTI-PSYCHOTIC ACTIVITY, AND SYNTHESIS OF $g(a)-SUBSTITUTED-ARYLACETAMIDES SCHERING CORP (US) 2002-12-11 EP claimed
EP-0791594-A2 2-Aryl-5,11-dihydro-6H-dipyrido 3,2-b:2',3'-e 1,4 diazepines and their use for the preparation of pharmaceutical compositions for the treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1997-08-27 EP claimed
US-5530125-A REACTING ARYLACETAMIDE WITH STRONG BASE IN INERT APROTIC SOLVENT, THEN WITH SPECIFIED REACTANT IN PRESENCE OF TRANSITION METAL CATALYST TO ADD ALPHA-SUBSTITUENT,REDUCING TO AMINE SCHERING CORPORTION (US) 1996-06-25 US claimed
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
EP-1515970-B1 ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF SUMITOMO CHEMICAL CO (JP) 2006-10-18 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
US-20060100429-A1 Alkynylpurine compounds and production methods thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-11 US disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed
EP-0544307-A1 Alkylaminoakylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-02 EP disclosed
WO-1993001192-A1 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-01-21 WO disclosed
EP-0522504-A1 2-(2-substituted pyrrolidinylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1993-01-13 EP disclosed
US-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed
EP-0411664-A2 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR TP53 1774/4885POLB 3753/4885KMT2A 1923/4885
US-20060100429-A1 Alkynylpurine compounds and production methods thereof TPMT, IMPDH1, IMPDH2 TP53 2587/4885POLB 1160/4885KMT2A 1287/4885

“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.