Sugi Predict

Sugi Predict / Compounds / SCHEMBL3378442

SCHEMBL3378442

SCHEMBL3378442

CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(N2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.38
▸ MAPK1 P28482 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GRM1 Q13255 5/20 0.34
▸ GRM4 Q14833 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ F10 P00742 6/20 0.34
▸ STK33 Q9BYT3 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DGAT1 O75907 1/20 0.31

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
SCHEMBL3377035 0.86 F10 (0.36) GRM1HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3377194 0.86 F10 (0.41) GRM1HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3376468 0.84 AHR (0.40) AHRMAPK1ALOX15HSD17B10GRM1
SCHEMBL3379830 0.82 F10 (0.40) MAPK1HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3618059 0.80 PRSS12 (0.40) HPGDSMN1; SMN2ALDH1A1F10STK33
SCHEMBL3623718 0.78 NPC1 (0.37) ALOX15HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3379360 0.78 F10 (0.56) MAPK1HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3381123 0.78 F10 (0.43) MAPK1HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3621592 0.77 FLT1 (0.36) HSD17B10HPGDSMN1; SMN2ALDH1A1F10
SCHEMBL3617278 0.76 KDM4E (0.48) HSD17B10HPGDSMN1; SMN2ALDH1A1F10

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 5 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
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

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 AHR 1011/4885MAPK1 959/4885ALOX15 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.