SCHEMBL3377538

SCHEMBL3377538

O=C(Nc1cccc2c1C(=O)N(c1ccc(NCCO)cc1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
F10 P00742 5/20 0.45
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM1 Q13255 5/20 0.40
GRM4 Q14833 4/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS12 P56730 1/20 0.40
STK33 Q9BYT3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RPS6KA2 Q15349 2/20 0.38
MT-CO2 P00403 1/20 0.37

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
SCHEMBL3376468 0.84 AHR (0.40) AHRF10ALOX15MAPK1HSD17B10
SCHEMBL3380066 0.81 F10 (0.47) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3380128 0.81 F10 (0.54) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3377544 0.77 F10 (0.51) F10MAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8234151 0.77 F10 (0.44) AHRF10ALOX15MAPK1HSD17B10
SCHEMBL3914613 0.76 F10 (0.60) F10
SCHEMBL13950071 0.74 F10 (0.52) F10ALDH1A1HPGDSMN1; SMN2PRSS12
SCHEMBL3606113 0.74 AHR (0.42) AHRF10ALOX15MAPK1HSD17B10
SCHEMBL4303219 0.74 HPGD (0.46) F10ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL12040651 0.73 POLB (0.44) F10GRM1ALDH1A1HPGDSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US claimed
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
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US 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
WO-2007137800-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137800-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 AHR 2672/4885F10 4049/4885ALOX15 1452/4885
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof ICAM1, SERPINC1, TFPI2 AHR 1011/4885F10 264/4885ALOX15 1083/4885

“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.