SCHEMBL3379941

SCHEMBL3379941

O=C(Nc1cccc2c1C(=O)N(Cc1cccc(NCCO)c1)C2)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
ACKR3 P25106 1/20 0.42
PARP1 P09874 1/20 0.39
PREP P48147 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC1 Q13547 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 3/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
CREBBP Q92793 1/20 0.36
ESR2 Q92731 1/20 0.36
NR1I2 O75469 1/20 0.35
UGCG Q16739 1/20 0.35
PRSS12 P56730 1/20 0.35

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
SCHEMBL3377544 0.92 F10 (0.51) F10PARP1PREPALDH1A1SMN1; SMN2
SCHEMBL3380025 0.86 F10 (0.70) F10ACKR3ALDH1A1SMN1; SMN2HDAC1
SCHEMBL3382382 0.86 F10 (0.55) F10ACKR3PARP1PREPALDH1A1
SCHEMBL3380722 0.86 F10 (0.48) F10ACKR3PARP1ALDH1A1SMN1; SMN2
SCHEMBL5782990 0.85 F10 (0.55) F10ACKR3PARP1PREPALDH1A1
SCHEMBL3382279 0.83 F10 (0.49) F10PARP1PREPALDH1A1SMN1; SMN2
SCHEMBL8231182 0.83 F10 (0.43) F10PARP1PREPALDH1A1HDAC1
SCHEMBL5780718 0.82 F10 (0.56) F10ACKR3PARP1PREPALDH1A1
SCHEMBL3380066 0.81 F10 (0.47) F10ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL8226346 0.81 F10 (0.49) F10

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 264/4885ACKR3 3525/4885PARP1 989/4885

“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.