SCHEMBL4579589

SCHEMBL4579589

NC(=O)c1ccc(N2C(=O)C(CCO)=C3CCCCC32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.35
PARP15 Q460N3 4/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 2/20 0.35
BCAT2 O15382 1/20 0.34
MAOB P27338 1/20 0.34
F2 P00734 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
CFB P00751 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 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
SCHEMBL4580525 0.87 CCR1 (0.38) PARP10PARP15OPRM1OPRD1OPRK1
SCHEMBL4582295 0.86 ITGB3 (0.36) PARP10PARP15OPRM1OPRD1OPRK1
SCHEMBL4581320 0.84 KDM4E (0.31)
SCHEMBL4578452 0.83 OPRM1 (0.36) OPRM1OPRD1OPRK1JAK2JAK1
SCHEMBL4581309 0.80 MAPK1 (0.39)
SCHEMBL4581572 0.78 SIRT1 (0.38) PARP2
SCHEMBL4581078 0.76 AR (0.35)
SCHEMBL4579335 0.71 ABCC9 (0.34) MAOB
SCHEMBL4580485 0.70 AR (0.41)
SCHEMBL14252192 0.70 PRKCQ (0.38)

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 PARP10 1536/4885PARP15 531/4885OPRM1 3840/4885

“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.