SCHEMBL3429329

SCHEMBL3429329

O=C(O)CCNC(=O)c1cc(Cl)c(Cl)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.54
KCNA6 P17658 1/20 0.45
KCNA3 P22001 1/20 0.45
KCNA4 P22459 1/20 0.45
KCNA5 P22460 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
FABP4 P15090 1/20 0.43
ALOX15 P16050 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
TOP2A P11388 1/20 0.39

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
SCHEMBL24740419 0.78 ALOX15 (0.55) DAOKCNA6KCNA3KCNA4KCNA5
SCHEMBL11611009 0.75 CA12 (0.57) DAOCA1CA2
SCHEMBL29403825 0.74 GPR84 (0.64) ITGB3ITGA2BEGLN1
SCHEMBL3422729 0.74 DAO (0.54) DAOKCNA6KCNA3KCNA4KCNA5
SCHEMBL24112866 0.72 ALOX15 (0.51) DAOKCNA6KCNA3KCNA4KCNA5
SCHEMBL12999544 0.71 LMNA (0.45) CA1CA2ITGB3ITGA2BEGLN1
Hydrochloric Acid SCHEMBL1518411 0.71 KCNA6 (0.43) DAOKCNA6KCNA3KCNA4KCNA5
SCHEMBL1518218 0.71 DAO (0.46) DAOKCNA6KCNA3KCNA4KCNA5
SCHEMBL10674230 0.71 KDM4E (0.70)
SCHEMBL2940426 0.70 BLM (0.50) DAOALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US disclosed
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-28 US disclosed
US-7423031-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-09 US disclosed
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 US disclosed
WO-2004098520-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-11-18 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 (2 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-20050153955-A1 Compounds and compositions as protein kinase inhibitors CDK1, CDK3, CDK11A DAO 4328/4885KCNA6 2244/4885KCNA3 1777/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 DAO 4161/4885KCNA6 2406/4885KCNA3 1809/4885

“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.