SCHEMBL3379082

SCHEMBL3379082

O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
RXFP1 Q9HBX9 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 8/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
GAA P10253 1/20 0.57
CASP3 P42574 7/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 3/20 0.51
STK33 Q9BYT3 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAPT P10636 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
SCHEMBL23934282 0.86 KDM4E (0.59) KDM4ERXFP1NPSR1ALDH1A1HPGD
SCHEMBL12671698 0.85 KDM4E (0.60) KDM4ERXFP1L3MBTL1ALDH1A1HPGD
SCHEMBL14394341 0.81 KDM4E (0.53) KDM4ERXFP1L3MBTL1ALDH1A1HPGD
SCHEMBL3380643 0.81 HPGD (0.53) KDM4ERXFP1NPSR1ALDH1A1HPGD
SCHEMBL5781754 0.78 HPGD (0.50) KDM4ERXFP1NPSR1ALDH1A1HPGD
SCHEMBL5782094 0.78 ALDH1A1 (0.50) KDM4ERXFP1NPSR1ALDH1A1HPGD
SCHEMBL5800325 0.77 ALDH1A1 (0.49) KDM4ERXFP1NPSR1L3MBTL1ALDH1A1
SCHEMBL5801389 0.77 HPGD (0.49) KDM4ERXFP1NPSR1ALDH1A1HPGD
SCHEMBL11830879 0.74 KDM4E (0.57) KDM4ERXFP1L3MBTL1ALDH1A1HPGD
SCHEMBL4455080 0.74 KDM4E (0.73) KDM4ERXFP1L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939557-B2 Vascular endothelial receptor specific inhibitors NOVA SOUTHEASTERN UNIVERSITY (US) 2011-05-10 US disclosed
US-7939557-B2 Vascular endothelial receptor specific inhibitors NOVA SOUTHEASTERN UNIVERSITY (US) 2011-05-10 US disclosed
EP-2029586-B1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-11-24 EP disclosed
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
EP-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
EP-2029586-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed
US-6933295-B2 Substituted isoindoles and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 US disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 US disclosed
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 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 (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-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 KDM4E 2699/4885RXFP1 3838/4885NPSR1 870/4885
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders F2, SERPINC1, F11 KDM4E 3230/4885RXFP1 884/4885NPSR1 341/4885
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof ICAM1, SERPINC1, TFPI2 KDM4E 4646/4885RXFP1 3225/4885NPSR1 2028/4885

“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.