SCHEMBL3377540

SCHEMBL3377540

O=C(Nc1cccc2c1C(=O)N(Cc1ccc(I)cc1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
F10 P00742 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.42
STK33 Q9BYT3 1/20 0.42
HDAC7 Q8WUI4 1/20 0.40
GRM5 P41594 2/20 0.39
MAPT P10636 2/20 0.39
RPS6KA2 Q15349 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
NPC1 O15118 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
SCHEMBL5781838 0.92 HDAC1 (0.47) HDAC1F10KMT2AMEN1HPGD
SCHEMBL3381035 0.91 F10 (0.51) HDAC1F10KMT2AMEN1HPGD
SCHEMBL8231854 0.90 HDAC1 (0.39) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5780759 0.89 HDAC1 (0.47) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5781704 0.89 F10 (0.45) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5781466 0.88 HDAC1 (0.44) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5779158 0.87 HDAC1 (0.44) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5782864 0.87 F10 (0.46) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5781951 0.87 F10 (0.51) HDAC1F10KMT2AMEN1HPGD
SCHEMBL5784252 0.86 F10 (0.41) HDAC1F10KMT2AMEN1HPGD

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
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
WO-2007137790-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-2007137790-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 HDAC1 1775/4885F10 264/4885KMT2A 4409/4885

“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.