SCHEMBL3079295

SCHEMBL3079295

O=C1NC(=O)c2c3ccccc3cc3cccc1c23

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.63
PARP1 P09874 4/20 0.56
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 2/20 0.47
CASP1 P29466 2/20 0.47
MAPT P10636 2/20 0.47
CASP7 P55210 2/20 0.47
RGS12 O14924 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
APEX1 P27695 1/20 0.47
BRCA1 P38398 1/20 0.47
MTOR P42345 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL31241414 1.00 CES1 (0.63) CES1PARP1NPSR1MEN1KMT2A
SCHEMBL6405656 0.92 PARP1 (0.53) CES1PARP1NPSR1MEN1KMT2A
SCHEMBL5051981 0.84 PARP1 (0.62) CES1PARP1NPSR1MEN1KMT2A
SCHEMBL14524815 0.83 PARP1 (0.49) CES1PARP1NPSR1MEN1KMT2A
SCHEMBL14463494 0.79 CASP1 (0.61) CES1PARP1NPSR1MEN1KMT2A
SCHEMBL8207983 0.78 PARP1 (0.50) CES1PARP1NPSR1MEN1KMT2A
SCHEMBL2156357 0.77 CES1 (1.00) CES1NPSR1MEN1KMT2ACYP1A2
SCHEMBL579274 0.77 CES1 (1.00) CES1NPSR1MEN1KMT2ACYP1A2
SCHEMBL1654813 0.77 ALOX5 (0.51) PARP1MEN1KMT2ARECQLTDP1
SCHEMBL14524814 0.76 PARP1 (0.51) CES1PARP1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-10103384-B2 Electroactive polymers, manufacturing process thereof, electrode and use thereof EVONIK DEGUSSA GMBH (DE) 2018-10-16 US disclosed
EP-3019541-B1 ELECTROACTIVE POLYMERS, MANUFACTURING PROCESS THEREOF, ELECTRODE AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2018-09-19 EP disclosed
US-20160233509-A1 ELECTROACTIVE POLYMERS, MANUFACTURING PROCESS THEREOF, ELECTRODE AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2016-08-11 US disclosed
EP-3019541-A1 ELECTROACTIVE POLYMERS, MANUFACTURING PROCESS THEREOF, ELECTRODE AND USE THEREOF Evonik Degussa GmbH (DE) 2016-05-18 EP disclosed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
WO-2016028225-A1 PLATINUM COMPLEXES AS ANTICANCER AGENTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-25 WO disclosed
WO-2015003725-A1 ELECTROACTIVE POLYMERS, MANUFACTURING PROCESS THEREOF, ELECTRODE AND USE THEREOF FRIEDRICH-SCHILLER-UNIVERSITÄT JENA (DE) 2015-01-15 WO disclosed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
EP-0536208-B1 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS RES CORP TECHNOLOGIES INC (US) 1998-01-21 EP disclosed
EP-0757676-A1 DIHYDRODIBENZO(DE,H)ISOQUINOLINES DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-02-12 EP disclosed
WO-1995029895-A1 DIHYDRODIBENZO(DE,H)ISOQUINOLINES DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1995-11-09 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 (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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 CES1 300/4885PARP1 1586/4885NPSR1 3608/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT CES1 840/4885PARP1 255/4885NPSR1 2343/4885

“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.