SCHEMBL4136703

SCHEMBL4136703

Cc1ccc(I)c(=O)n1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRBN Q96SW2 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL12180573 0.75 BRPF1 (0.38) KDM4EL3MBTL1CRBNADORA2AADORA2B
SCHEMBL22461725 0.73 KMT2A (0.37) KDM4EL3MBTL1CRBNADORA2AADORA2B
SCHEMBL2114603 0.71 HPGD (0.33) KDM4EL3MBTL1CRBNADORA2AADORA2B
SCHEMBL15804043 0.71 ATAD2 (0.38) KDM4EL3MBTL1CRBN
SCHEMBL21978984 0.71 GRIA1 (0.37) KDM4EIDH1
SCHEMBL29192583 0.70 RAB9A (0.48) IDH1
SCHEMBL4601098 0.70 IDH1 (0.35) KDM4EL3MBTL1CRBNIDH1
SCHEMBL254079 0.69
SCHEMBL14596455 0.69
SCHEMBL15254500 0.68 KDM4E (0.31) KDM4EL3MBTL1CRBN

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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO KDM4E 977/4885L3MBTL1 3575/4885CRBN 2902/4885

“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.