SCHEMBL9934296

SCHEMBL9934296

C[C@H](CO)N1Cc2c(N)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
TNF P01375 1/20 0.40
IL1B P01584 1/20 0.40
IKZF1 Q13422 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
IKZF3 Q9UKT9 1/20 0.40
MAP3K5 Q99683 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPRC P08575 1/20 0.36
PAX8 Q06710 1/20 0.35
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UGCG Q16739 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TLR9 Q9NR96 1/20 0.34
IDH1 O75874 1/20 0.34
DPP4 P27487 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
SCHEMBL9935368 0.83 UGCG (0.39) BRD4TNFIL1BIKZF1DDB1
SCHEMBL9934235 0.83 UGCG (0.39) BRD4TNFIL1BIKZF1DDB1
SCHEMBL7952458 0.83 IDH1 (0.46) BRD4TNFIL1BIKZF1DDB1
SCHEMBL21986280 0.82 BRD4 (0.38) BRD4TNFIL1BIKZF1DDB1
SCHEMBL9935445 0.79 S100A4 (0.41) TNFMEN1KMT2APTPRCPAX8
SCHEMBL9933420 0.78 MEN1 (0.32) MAP3K5MEN1KMT2AIDH1
SCHEMBL24675784 0.77 BRD4 (0.35) BRD4TNFIL1BIKZF1DDB1
SCHEMBL18666649 0.77 BRD4 (0.35) BRD4TNFIL1BIKZF1DDB1
SCHEMBL869453 0.76 MEN1 (0.41) BRD4TNFIL1BIKZF1DDB1
SCHEMBL9934244 0.75 ADORA2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 BRD4 3545/4885TNF 1665/4885IL1B 620/4885

“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.