SCHEMBL3289331

SCHEMBL3289331

[O-][N+]1(c2ccc(I)cc2)CCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4733961 0.76 CYP2A6 (0.38) CA1CA2
SCHEMBL4731836 0.76 ALOX15 (0.38) CA1CA2
SCHEMBL11224081 0.70 LMNA (0.33)
SCHEMBL874303 0.70
SCHEMBL13719990 0.70
SCHEMBL3984911 0.70 KMT2A (0.36) CA1CA2
SCHEMBL76934 0.70 MEN1 (0.36) CA1CA2
SCHEMBL1946653 0.70 KMT2A (0.38)
SCHEMBL76560 0.68 LMNA (0.32)
SCHEMBL7074888 0.68 ALDH1A1 (0.39) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723020-B2 Use of azetidinone compounds SCHERING CORPORATION (US) 2010-05-25 US disclosed
US-20070105141-A1 Use of azetidinone compounds SCHERING CORPORATION (US) 2007-05-10 US disclosed
US-7144696-B2 Use of azetidinone compounds SCHERING CORPORATION (US) 2006-12-05 US disclosed
US-20050208568-A1 Use of azetidinone compounds SCHERING CORP. 2005-09-22 US disclosed
US-6933107-B2 Use of azetidinone compounds SCHERING CORPORATION (US) 2005-08-23 US disclosed
US-20030215869-A1 Use of azetidinone compounds ALTMANN SCOTT W (US) 2003-11-20 US disclosed
US-6632933-B2 Use of azetidinone compounds SCHERING CORPORATION 2003-10-14 US disclosed
US-6593078-B1 Identifying a protein that mediates cholesterol absorption by using DNA expression library; incubating cells with a fluorescent cholesterol absorption inhibitor; use in treating atherosclerotic coronary heart disease SCHERING CORPORATION 2003-07-15 US disclosed
US-20020009714-A1 Use of azetidinone compounds ALTMANN SCOTT W (US) 2002-01-24 US disclosed
WO-2000063703-A1 USE OF AZETIDINONE COMPOUNDS SCHERING CORPORATION (US) 2000-10-26 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 (4 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-20030215869-A1 Use of azetidinone compounds NPC1L1, NPC1, CYP46A1 CA1 4792/4885CA2 4461/4885
US-20070105141-A1 Use of azetidinone compounds NPC1L1, NPC1, CYP46A1 CA1 4799/4885CA2 4475/4885
US-20050208568-A1 Use of azetidinone compounds NPC1L1, NPC1, CYP46A1 CA1 4792/4885CA2 4461/4885
US-20020009714-A1 Use of azetidinone compounds NPC1L1, NPC1, CYP46A1 CA1 4792/4885CA2 4461/4885

“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.