SCHEMBL4579414

SCHEMBL4579414

COCCOc1cc(N2C(=O)C(CCO)=C3CCCCC32)ccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
JAK2 O60674 2/20 0.35
NTRK1 P04629 2/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
HTR1A P08908 4/20 0.33
PARP1 P09874 3/20 0.32
OPRK1 P41145 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C2 P08235 1/20 0.32
KEAP1 Q14145 1/20 0.32
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
PARP2 Q9UGN5 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
SCHEMBL4580485 0.85 AR (0.41) HCRTR1HCRTR2NR3C2HTR2C
SCHEMBL4581320 0.81 KDM4E (0.31)
SCHEMBL14292104 0.80 NR1I2 (0.35) HTR1AOPRK1SMN1; SMN2
SCHEMBL4580872 0.79 HSP90AA1 (0.45) OPRK1SMN1; SMN2
SCHEMBL4579589 0.77 PARP10 (0.35) PARP10PARP15JAK2OPRK1PARP2
SCHEMBL4581309 0.76 MAPK1 (0.39)
SCHEMBL4581572 0.76 SIRT1 (0.38) PARP1PARP2
SCHEMBL4579769 0.75 HSP90B1 (0.45)
SCHEMBL14252102 0.75 HSP90B1 (0.45)
SCHEMBL4580734 0.74 CCR1 (0.33) PARP10PARP15PARP1

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
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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

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 531/4885JAK2 7/4885

“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.