SCHEMBL4579520

SCHEMBL4579520

N#Cc1ccc(N2C(=O)C(CC(=O)O)=C3CCCCC32)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.39
AR P10275 8/20 0.34
XDH P47989 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL4581078 0.88 AR (0.35) NR3C2ARXDH
SCHEMBL4581779 0.86 AR (0.38) AR
SCHEMBL4579431 0.84 NR3C2 (0.36) NR3C2
SCHEMBL4582527 0.81 PRKCQ (0.39) NR3C2AR
SCHEMBL14252193 0.81 PRKCQ (0.39) NR3C2AR
SCHEMBL4579775 0.81 KDM4E (0.37)
SCHEMBL4582295 0.76 ITGB3 (0.36)
SCHEMBL4581320 0.72 KDM4E (0.31)
SCHEMBL4579335 0.72 ABCC9 (0.34) AR
SCHEMBL4580025 0.69 PRKCQ (0.38) AR

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 4 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
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
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 NR3C2 1577/4885AR 1225/4885XDH 395/4885

“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.