SCHEMBL926243

SCHEMBL926243

COC(=O)c1c[nH]c(=O)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.68
CREBBP Q92793 1/20 0.68
KDM4E B2RXH2 3/20 0.66
MAP2K1 Q02750 1/20 0.58
ALDH1A1 P00352 2/20 0.51
BRD4 O60885 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PADI4 Q9UM07 1/20 0.51
AXL P30530 2/20 0.50
LMNA P02545 2/20 0.48
PARP1 P09874 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL11172553 0.82 KDM4E (0.60) KDM4EALDH1A1GAALMNATSHR
SCHEMBL24704203 0.82 NR4A2 (0.54) NR4A2CREBBPKDM4EMAP2K1ALDH1A1
SCHEMBL30031033 0.81 NR4A2 (1.00) NR4A2CREBBPMAP2K1ALDH1A1NPSR1
SCHEMBL1093530 0.81 NR4A2 (1.00) NR4A2CREBBPMAP2K1ALDH1A1NPSR1
SCHEMBL10372680 0.80 KDM4E (0.72) NR4A2CREBBPKDM4EALDH1A1BRD4
SCHEMBL22230076 0.80 PARP1 (0.53) NR4A2CREBBPKDM4EALDH1A1GAA
SCHEMBL29532188 0.80 PARP1 (0.53) NR4A2CREBBPKDM4EALDH1A1GAA
SCHEMBL2918231 0.80 PARP1 (0.54) NR4A2CREBBPKDM4EMAP2K1AXL
SCHEMBL2915155 0.80 NR4A2 (0.51) NR4A2CREBBPKDM4EMAP2K1AXL
SCHEMBL2676355 0.80 KDM4E (1.00) NR4A2KDM4EALDH1A1PARP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
EP-4041229-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
EP-2729007-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS Bayer Intellectual Property GmbH (DE) 2014-05-14 EP disclosed
WO-2013004652-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-10 WO disclosed
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds NEUROGEN CORPORATION 2008-06-19 US disclosed
US-7326709-B2 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION (US) 2008-02-05 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed
US-20060217384-A1 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2006-09-28 US disclosed
US-7053093-B2 Bicyclic and tricyclic hetroaromatic compounds NEUROGEN CORPORATION (US) 2006-05-30 US disclosed
US-20030181455-A1 Bicyclic and tricyclic hetroaromatic compounds NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-09-25 US disclosed
EP-1228069-B1 BICYCLIC AND TRICYCLIC HETEROAROMATIC COMPOUNDS NEUROGEN CORP (US) 2003-04-02 EP disclosed
US-6511987-B1 Heterocyclic derivatives that bind to the benzodiazepine site of GABAA receptors for treatment of central nervous system disorders NEUROGEN CORPORATION 2003-01-28 US 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 (6 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-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds GABBR1, GABBR2, GABRA4 NR4A2 481/4885CREBBP 1542/4885KDM4E 2723/4885
US-20030181455-A1 Bicyclic and tricyclic hetroaromatic compounds GABBR1, GABBR2, GABRA1 NR4A2 444/4885CREBBP 1651/4885KDM4E 2660/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP NR4A2 1723/4885CREBBP 1004/4885KDM4E 1391/4885
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 NR4A2 2056/4885CREBBP 2804/4885KDM4E 3457/4885
US-20060217384-A1 Bicyclic and tricyclic heteroaromatic compounds GABBR1, GABBR2, GABRA4 NR4A2 481/4885CREBBP 1542/4885KDM4E 2723/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 NR4A2 3505/4885CREBBP 2596/4885KDM4E 241/4885

“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.