SCHEMBL8225992

SCHEMBL8225992

N=C1OCCN1c1cccc(CN2Cc3c(NC(=O)c4ccc(Cl)s4)cccc3C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.61
ACKR3 P25106 1/20 0.36
HDAC1 Q13547 2/20 0.36
KLKB1 P03952 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
STK33 Q9BYT3 1/20 0.34
DHPS P49366 1/20 0.33

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
SCHEMBL3613837 0.96 F10 (0.58) F10ACKR3HDAC1KLKB1HDAC3
SCHEMBL8225922 0.91 F10 (0.55) F10ACKR3KLKB1DHPS
SCHEMBL3985724 0.88 F10 (0.61) F10
SCHEMBL8225168 0.88 F10 (0.51) F10ACKR3KLKB1ALDH1A1HPGD
SCHEMBL8225326 0.88 F10 (0.51) F10ACKR3KLKB1MEN1KMT2A
SCHEMBL1246033 0.88 F10 (0.52) F10ACKR3KLKB1ALDH1A1MEN1
SCHEMBL8230473 0.88 F10 (0.47) F10ACKR3HDAC1KLKB1ALDH1A1
SCHEMBL8226339 0.85 F10 (0.62) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL1244974 0.85 F10 (0.48) F10ACKR3KLKB1ALDH1A1MEN1
SCHEMBL1246007 0.85 F10 (0.48) F10ACKR3KLKB1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3525/4885HDAC1 1775/4885

“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.