Sugi Predict

Sugi Predict / Compounds / SCHEMBL3377544

SCHEMBL3377544

SCHEMBL3377544

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.51
▸ HDAC1 Q13547 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ PRSS12 P56730 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ UGCG Q16739 1/20 0.37
▸ PREP P48147 3/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ESR2 Q92731 1/20 0.36

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
SCHEMBL3379941 0.92 F10 (0.53) F10HDAC1PARP1ALDH1A1HPGD
SCHEMBL8231182 0.90 F10 (0.43) F10HDAC1TSHRMAPK1PARP1
SCHEMBL3382279 0.87 F10 (0.49) F10HDAC1TSHRMAPK1PARP1
SCHEMBL3380066 0.86 F10 (0.47) F10ALDH1A1HPGDSMN1; SMN2PRSS12
SCHEMBL3379883 0.85 F10 (0.47) F10HDAC1TSHRMAPK1ALDH1A1
SCHEMBL5781798 0.84 F10 (0.49) F10HDAC1TSHRMAPK1PARP1
SCHEMBL3382382 0.83 F10 (0.55) F10HDAC1PARP1ALDH1A1HPGD
SCHEMBL8230181 0.82 F10 (0.43) F10HDAC1TSHRMAPK1PARP1
SCHEMBL5782990 0.82 F10 (0.55) F10HDAC1PARP1ALDH1A1HPGD
SCHEMBL3987347 0.79 F10 (0.47) F10HDAC1TSHRMAPK1ALDH1A1

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 6 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

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 264/4885HDAC1 1775/4885TSHR 4805/4885

“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.