SCHEMBL535326

SCHEMBL535326

COc1ccc(C(N)=O)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.65
HPGDS O60760 1/20 0.63
CDC25B P30305 2/20 0.61
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 1/20 0.58
CYP2C9 P11712 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
STAT6 P42226 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.55
IDO1 P14902 1/20 0.53
EP300 Q09472 1/20 0.52
KAT8 Q9H7Z6 1/20 0.52
HIF1A Q16665 1/20 0.49

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
SCHEMBL10964177 0.89 CDC25B (0.53) PLK1HPGDSCDC25BKMT2AMAPT
SCHEMBL30742731 0.89 CDC25B (0.53) PLK1HPGDSCDC25BKMT2AMAPT
SCHEMBL4469856 0.83 CDC25B (0.78) PLK1HPGDSCDC25BKMT2AMAPT
SCHEMBL7842295 0.83 PLK1 (0.67) PLK1HPGDSCDC25BKMT2AMAPT
SCHEMBL4518755 0.83 PLK1 (0.67) PLK1HPGDSCDC25BKMT2AMAPT
SCHEMBL698753 0.83 NQO1 (0.65) PLK1HPGDSCDC25BKMT2AHPGD
SCHEMBL28639283 0.82 ATM (0.75) KMT2AMAPTHPGDALDH1A1CYP3A4
SCHEMBL24101354 0.81 PLK1 (0.70) PLK1HPGDSCDC25BKMT2AMAPT
SCHEMBL4028585 0.81 PLK1 (0.65) PLK1HPGDSCDC25BKMT2AMAPT
Hydrochloric Acid SCHEMBL11445757 0.81 CDC25B (0.76) PLK1HPGDSCDC25BKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007503382-A 2007-02-22 JP claimed
US-20060281897-A1 Potentialization of the activation of high molecular weight prodrugs DIATOS S.A. (FR) 2006-12-14 US claimed
EP-1701743-A2 POTENTIATION OF THE ACTIVATION OF HIGH-MOLECULAR-MASS PRODRUGS Diatos (FR) 2006-09-20 EP claimed
WO-2005021043-A2 HIGH-MOLECULAR-MASS PRODRUGS DIATOS (FR) 2005-03-10 WO claimed
EP-2945930-B1 NOVEL DDP-IV INHIBITORS DNJ PHARMA INC (US) 2018-10-10 EP disclosed
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors UNIVERSITY OF SOUTH CAROLINA 2016-01-14 US disclosed
US-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA 2015-11-05 US disclosed
US-9175357-B2 Fragment ligated inhibitors selective for the polo box domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2015-11-03 US disclosed
EP-2276776-B1 METHOD AND AFFINITY COLUMN FOR PURIFYING PROTEINS SAMSUNG ELECTRONICS CO LTD (KR) 2015-07-29 EP disclosed
US-20120115207-A1 ENHANCED PRODUCTION OF PAPILLOMAVIRUS-LIKE PARTICLES WITH A MODIFIED BACULOVIRUS EXPRESSION SYSTEM DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-05-10 US disclosed
EP-2414512-A1 ENHANCED PRODUCTION OF PAPILLOMAVIRUS-LIKE PARTICLES WITH A MODIFIED BACULOVIRUS EXPRESSION SYSTEM Deutsches Krebsforschungszentrum (DE) 2012-02-08 EP disclosed
US-20110236367-A1 RAT CATHESPIN DIPEPTIDYL PEPTIDASE I (DPPI): CRYSTAL STRUCTURE AND ITS USES TELENAV, INC. (US) 2011-09-29 US disclosed
EP-1176191-B1 ALPHA-GLYCATED AMINO ACID RELEASING ENZYME ARKRAY INC (JP) 2004-09-01 EP disclosed
US-20040043469-A1 Dipeptidyl peptidase i crystal structure and its uses PROZYMEX A/S (DK) 2004-03-04 US disclosed
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 EP disclosed
WO-1997049653-A9 SOLID PHASE TYRPHOSTIN LIBRARY LINKED TO MATRICES WITH MEMORIES 1998-04-16 WO disclosed
EP-0800528-A1 PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS Sibia Neurosciences, Inc. (US) 1997-10-15 EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 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 (4 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-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885HPGDS 1808/4885CDC25B 113/4885
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors PLK1, POLD1, POLR1E PLK1 1/4885HPGDS 1867/4885CDC25B 80/4885
US-20060281897-A1 Potentialization of the activation of high molecular weight prodrugs CD44, MMP12, FOLH1 PLK1 479/4885HPGDS 209/4885CDC25B 544/4885
US-20110236367-A1 RAT CATHESPIN DIPEPTIDYL PEPTIDASE I (DPPI): CRYSTAL STRUCTURE AND ITS USES DPP3, DPP7, DPP4 PLK1 3977/4885HPGDS 3893/4885CDC25B 3283/4885

“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.