SCHEMBL6080262

SCHEMBL6080262

COc1ccc(Br)c2cc(C)c(C(=O)O)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.48
GPR35 Q9HC97 1/20 0.43
PDE4B Q07343 1/20 0.43
RNASEH1 O60930 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 4/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 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
SCHEMBL6080905 0.80 PDE10A (0.49) PDE4BKDM4EALOX15PDE10AMEN1
SCHEMBL6079932 0.77 PDE4B (0.43) PDE4BKDM4EPDE10AALDH1A1HPGD
SCHEMBL4704138 0.75 KDM4E (0.55) NQO2GPR35PDE4BKDM4EL3MBTL1
SCHEMBL6079920 0.75 HPGDS (0.47) NQO2KDM4EL3MBTL1PDE10AMEN1
SCHEMBL6081119 0.74 RNASEH1 (0.44) NQO2GPR35PDE4BRNASEH1KDM4E
SCHEMBL27473803 0.72 NQO2 (0.36) NQO2PDE4BL3MBTL1PDE10AALDH1A1
SCHEMBL8671131 0.70 ALDH1A1 (0.36) NQO2KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7367514 0.70 KDM4E (0.49) NQO2GPR35PDE4BKDM4EL3MBTL1
SCHEMBL6080957 0.70 PDE10A (0.52) GPR35PDE4BKDM4EL3MBTL1ALOX15
SCHEMBL681786 0.69 NQO2 (0.50) NQO2PDE4BMEN1KMT2AALDH1A1

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 3 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
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 NQO2 2/4885GPR35 1071/4885PDE4B 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.