SCHEMBL6080905

SCHEMBL6080905

COc1ccc(-c2ccccc2)c2cc(C)c(C(=O)O)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
PDE4B Q07343 2/20 0.46
ACACA Q13085 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
DHODH Q02127 3/20 0.41
ALOX15 P16050 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTB4R Q15722 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL6079932 0.89 PDE4B (0.43) PDE10APDE4BTDP1DHODHTNKS
SCHEMBL6080262 0.80 NQO2 (0.48) PDE10APDE4BALOX15MEN1KMT2A
SCHEMBL6591002 0.77 KDM4E (0.51) PDE10APDE4BACACAALOX15TNKS
SCHEMBL6079920 0.75 HPGDS (0.47) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL8034930 0.74 ADORA1 (0.51) PDE10APDE4BACACATNKSTNKS2
SCHEMBL6080899 0.73 PTGER4 (0.44) PDE10APDE4BACACADHODHTNKS
SCHEMBL6081016 0.73 PDE10A (0.56) PDE10AACACADHODHALOX15MEN1
SCHEMBL1811192 0.71 PDE10A (0.61) PDE10AACACADHODHALOX15TNKS
SCHEMBL6081306 0.71 PDE10A (0.45) PDE10ADHODHALOX15KDM4EALDH1A1
SCHEMBL6080957 0.70 PDE10A (0.52) PDE10APDE4BALOX15MEN1KMT2A

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 PDE10A 702/4885PDE4B 183/4885ACACA 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.