SCHEMBL6080248

SCHEMBL6080248

CNCc1cc2cccc(OC)c2nc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.47
PARP1 P09874 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL6592578 0.90 HPGDS (0.47) HPGDSPARP1PDE3BPDE3AKDM4E
SCHEMBL6079724 0.85 CYP1A2 (0.47) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6080955 0.80 KMT2A (0.49) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6080013 0.74 CYP1A2 (0.46) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6080766 0.72 KMT2A (0.48) PARP1KDM4EALDH1A1KMT2APDE10A
SCHEMBL1883218 0.70 HPGDS (0.48) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL8651146 0.70 HPGDS (0.45) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6567173 0.70 LMNA (0.49) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL6079920 0.70 HPGDS (0.47) HPGDSPDE3BPDE3AKDM4EALDH1A1
SCHEMBL4701058 0.69 KDM4E (0.56) HPGDSPDE3BPDE3AKDM4EALDH1A1

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 HPGDS 1951/4885PARP1 1366/4885PDE3B 184/4885

“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.