SCHEMBL4239597

SCHEMBL4239597

CCN(c1ccc(Oc2ccc(CC3COCC(=O)N3C)cc2)c(F)c1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.35
TDP2 O95551 1/20 0.32
ATM Q13315 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4234373 0.92 HSPB1 (0.34) HSPB1TDP2
SCHEMBL4232416 0.91 HSPB1 (0.36) HSPB1TDP2ATMGAAL3MBTL1
SCHEMBL4228448 0.90 GAA (0.34) HSPB1ATMGAAL3MBTL1
SCHEMBL4502235 0.90 HSPB1 (0.36) HSPB1TDP2ATMGAAL3MBTL1
SCHEMBL4236792 0.87 GCK (0.34)
SCHEMBL5338153 0.85 HSPB1 (0.36) HSPB1TDP2GAAL3MBTL1
SCHEMBL4500711 0.85 HSPB1 (0.36) HSPB1TDP2GAAL3MBTL1
SCHEMBL4229234 0.84 HSPB1 (0.35) HSPB1TDP2GAAL3MBTL1
SCHEMBL4239437 0.82 PKM (0.35) HSPB1ATMGAAL3MBTL1
SCHEMBL14543373 0.82 GAA (0.33) HSPB1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US claimed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 HSPB1 4665/4885TDP2 4218/4885ATM 4876/4885

“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.