SCHEMBL4698107

SCHEMBL4698107

COC(=O)c1ccc2c(Br)ccc(OC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
PTGER4 P35408 1/20 0.42
NQO2 P16083 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7367514 0.95 KDM4E (0.49) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL4704138 0.87 KDM4E (0.55) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL31525613 0.84 PTGER4 (0.43) MAPTCYP1A2GAARECQLPTGER4
SCHEMBL18552419 0.84 KDM4E (0.44) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL31525491 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6080899 0.78 PTGER4 (0.44) PDE4DPDE4APDE4BPDE4CPTGER4
SCHEMBL7107317 0.78 CTSA (0.47) MAPTCYP1A2GAARECQLPTGER4
SCHEMBL6081116 0.76 NQO2 (0.40) PDE4DMAPTCYP1A2GAARECQL
SCHEMBL6079925 0.76 SLC6A4 (0.44) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1811362 0.75 ALOX15 (0.50) MAPTCYP1A2GAARECQLPTGER4

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 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 PDE4D 362/4885PDE4A 262/4885PDE4B 183/4885

“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.