SCHEMBL4580734

SCHEMBL4580734

CCC1=C2CCCCC2N(c2ccc(C(N)=O)c(Br)c2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.33
CCR2 P41597 2/20 0.33
ALDH1A1 P00352 3/20 0.32
PARP1 P09874 2/20 0.32
KDM4E B2RXH2 2/20 0.31
PDE5A O76074 1/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
CNR2 P34972 1/20 0.30
PPOX P50336 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 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
SCHEMBL4581320 0.88 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL4580525 0.83 CCR1 (0.38) CCR1CCR2ALDH1A1KMT2APARP15
SCHEMBL4582876 0.81 HSP90AA1 (0.49)
SCHEMBL4581779 0.80 AR (0.38)
SCHEMBL4579414 0.74 PARP10 (0.38) PARP1PARP15PARP10
SCHEMBL4581959 0.73 ELANE (0.37) CCR1CCR2ALDH1A1KDM4E
SCHEMBL4579589 0.71 PARP10 (0.35) PARP15PARP10
SCHEMBL4582295 0.71 ITGB3 (0.36) PARP15PARP10
SCHEMBL4579520 0.71 NR3C2 (0.39)
SCHEMBL4581572 0.71 SIRT1 (0.38) PARP1

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-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
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 CCR1 579/4885CCR2 195/4885ALDH1A1 580/4885

“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.