SCHEMBL4579769

SCHEMBL4579769

NC(=O)c1ccc(N2C(=O)C(CCO)=C3CCCCC32)cc1NC1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 3/20 0.45
HSP90AA1 P07900 13/20 0.44
HSP90AB1 P08238 8/20 0.44
TRAP1 Q12931 2/20 0.41

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
SCHEMBL14252102 1.00 HSP90B1 (0.45) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL4582876 0.90 HSP90AA1 (0.49) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL14252136 0.89 HSP90B1 (0.45) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL4581109 0.89 HSP90B1 (0.45) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL14252192 0.85 PRKCQ (0.38)
SCHEMBL4580091 0.85 PRKCQ (0.38)
SCHEMBL4581320 0.81 KDM4E (0.31)
SCHEMBL4580872 0.79 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL4579589 0.77 PARP10 (0.35) HSP90AA1HSP90AB1
SCHEMBL14252188 0.77 AR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 HSP90B1 2531/4885HSP90AA1 2797/4885HSP90AB1 2208/4885

“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.