SCHEMBL1004596

SCHEMBL1004596

NC(=O)c1cc2ccccc2cc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 4/20 0.63
GAA P10253 2/20 0.63
IKBKB O14920 3/20 0.59
IRAK4 Q9NWZ3 1/20 0.58
IDO1 P14902 1/20 0.56
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MITF O75030 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
PDPK1 O15530 1/20 0.50
METAP2 P50579 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 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
Potassium SCHEMBL7404680 0.97 KDM4E (0.61) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL7404678 0.97 KDM4E (0.61) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL28343362 0.91 IDO1 (0.64) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL1802393 0.88 KDM4E (0.57) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL29374999 0.86 MAPT (0.63) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL2205716 0.86 IDO1 (0.70) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL550901 0.86 MAPT (0.63) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL8140936 0.84 IRAK4 (0.54) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL9127062 0.83 MAPT (0.59) KDM4EALDH1A1GAAIKBKBIRAK4
SCHEMBL5750206 0.83 IDO1 (0.66) KDM4EALDH1A1GAAIKBKBIRAK4

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 27 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
JP-1149759-A None JP disclosed
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 US disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 US disclosed
WO-2020150446-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-07-23 WO disclosed
WO-2020150446-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-07-23 WO disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US 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
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO disclosed
US-5220048-A Diels-Alder reactions CIBA-GEIGY CORPORATION (US) 1993-06-15 US disclosed
JP-H01149759-A PRODUCTION OF 2,3-DICYANONAPHTHALENE NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1989-06-12 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 (3 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B KDM4E 4735/4885ALDH1A1 1816/4885GAA 4868/4885
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 KDM4E 1766/4885ALDH1A1 1856/4885GAA 1355/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KDM4E 1766/4885ALDH1A1 1856/4885GAA 1355/4885

“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.