SCHEMBL6080975

SCHEMBL6080975

COc1cccc2c(-c3ccc(Cl)cc3)c(C)c(C(=O)O)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.51
TNKS2 Q9H2K2 3/20 0.51
PARP2 Q9UGN5 2/20 0.51
PDE10A Q9Y233 1/20 0.46
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
DHODH Q02127 3/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL6081016 0.90 PDE10A (0.56) TNKSTNKS2PARP2PDE10ACDK9
SCHEMBL6081023 0.82 KDM4E (0.52) TNKSTNKS2PARP2PDE10ACDK9
SCHEMBL6080957 0.81 PDE10A (0.52) TNKSTNKS2PARP2PDE10ACDK9
SCHEMBL6080920 0.78 PDE10A (0.50) TNKSTNKS2PARP2PDE10ACDK9
SCHEMBL6080250 0.75 DHODH (0.41) DHODHKDM4EMEN1ALDH1A1MAPT
SCHEMBL6593342 0.75 TNKS (0.52) TNKSTNKS2PARP2PDE10ADHODH
SCHEMBL6079932 0.74 PDE4B (0.43) TNKSTNKS2PARP2PDE10ADHODH
SCHEMBL6079388 0.72 PARP1 (0.41) PDE10ADHODHPARP1KDM4EALDH1A1
SCHEMBL6718909 0.71 FABP4 (0.56) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL6080253 0.70 KDM4E (0.46) PDE10AKDM4EMEN1ALDH1A1MAPT

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 TNKS 1332/4885TNKS2 1619/4885PARP2 1651/4885

“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.