SCHEMBL6080899

SCHEMBL6080899

COC(=O)c1ccc2c(-c3ccccc3)ccc(OC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ACACA Q13085 2/20 0.43
MMP2 P08253 1/20 0.42
NPC1 O15118 1/20 0.42
DHODH Q02127 1/20 0.42
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TDO2 P48775 1/20 0.40
EGFR P00533 1/20 0.40
ECE1 P42892 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL6591002 0.89 KDM4E (0.51) PDE10AACACAMMP2NPC1TNKS
SCHEMBL6079925 0.87 SLC6A4 (0.44) PTGER4NPC1TNKSTNKS2PARP2
SCHEMBL6079947 0.83 ACACA (0.55) PDE10AACACAMMP2NPC1DHODH
SCHEMBL18552419 0.79 KDM4E (0.44) PTGER4KDM4EALDH1A1PDE4BPDE4A
SCHEMBL6593501 0.78 KDM4E (0.48) MMP2DHODHTNKSTNKS2PARP2
SCHEMBL4698107 0.78 PDE4D (0.43) PTGER4KDM4EALDH1A1PDE4BPDE4A
SCHEMBL31525491 0.78 PDE4D (0.43) PTGER4NPC1KDM4EALDH1A1PDE4B
SCHEMBL8034930 0.77 ADORA1 (0.51) PDE10AACACANPC1TNKSTNKS2
SCHEMBL28904319 0.77 SMN1; SMN2 (0.51) PTGER4DHODHKDM4EALDH1A1TDO2
SCHEMBL7367514 0.76 KDM4E (0.49) PTGER4KDM4EPDE4BPDE4APDE4C

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL PTGER4 1255/4885PDE10A 702/4885ACACA 2238/4885

“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.