SCHEMBL3380128

SCHEMBL3380128

O=C(Nc1cccc2c1CN(c1ccc(NCCO)cc1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.54
GRM1 Q13255 4/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS12 P56730 1/20 0.39
STK33 Q9BYT3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL3380066 0.85 F10 (0.47) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3377124 0.85 F10 (0.49) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3377538 0.81 AHR (0.45) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3380025 0.81 F10 (0.70) F10ALDH1A1HPGDSMN1; SMN2PRSS12
SCHEMBL8226010 0.80 F10 (0.46) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3981509 0.79 F10 (0.61) F10
SCHEMBL12040651 0.78 POLB (0.44) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3614130 0.77 F10 (0.43) F10GRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8230285 0.76 F10 (0.41) F10GRM1SMN1; SMN2KDM4E
SCHEMBL3377544 0.76 F10 (0.51) F10ALDH1A1HPGDSMN1; SMN2PRSS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof ICAM1, SERPINC1, TFPI2 F10 264/4885GRM1 3235/4885ALDH1A1 229/4885

“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.