SCHEMBL6079899

SCHEMBL6079899

Cc1c(C(=O)O)nc2c(N)cccc2c1CCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
COPS5 Q92905 1/20 0.35
POLB P06746 1/20 0.34
PIK3CD O00329 1/20 0.34
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHEK1 O14757 1/20 0.33
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
MCL1 Q07820 1/20 0.31

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
SCHEMBL6079250 0.88 TLR8 (0.43) PARP1KDM4ETSHRLMNAMCL1
SCHEMBL6079276 0.86 P2RX3 (0.40) PARP1ELANEKDM4ETDP1COPS5
SCHEMBL6080558 0.86 KDM4E (0.40) PARP1KDM4EPOLBTP53TSHR
SCHEMBL6080126 0.85 PARP1 (0.36) PARP1ELANEKDM4ETDP1COPS5
SCHEMBL6080971 0.82 PARP1 (0.33) PARP1ELANEKDM4ETDP1COPS5
SCHEMBL6080619 0.79 TLR7 (0.40) POLBTSHRLMNAHPGD
SCHEMBL6079783 0.79 PARP1 (0.45) PARP1ELANEKDM4ETDP1COPS5
SCHEMBL6080402 0.78 PARP1 (0.44) PARP1ELANEKDM4ETDP1COPS5
SCHEMBL6079388 0.75 PARP1 (0.41) PARP1ELANEKDM4ETDP1HSD17B10
SCHEMBL6080289 0.75 PARP1 (0.41) PARP1ELANEKDM4ETDP1POLB

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 PARP1 1366/4885ELANE 3152/4885KDM4E 1006/4885

“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.