SCHEMBL6080971

SCHEMBL6080971

Cc1c(C(=O)O)nc2c(N)cccc2c1CCCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
ELANE P08246 1/20 0.33
CHEK1 O14757 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TLR7 Q9NYK1 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
GRM6 O15303 1/20 0.32
TOP2A P11388 1/20 0.31
COPS5 Q92905 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL6080619 0.85 TLR7 (0.40) TLR7LMNAHPGDGAA
SCHEMBL6079899 0.82 PARP1 (0.39) PARP1ELANECHEK1KDM4ETDP1
SCHEMBL6079250 0.80 TLR8 (0.43) PARP1KDM4ELMNA
SCHEMBL6079276 0.78 P2RX3 (0.40) PARP1ELANEKDM4ETDP1TLR7
SCHEMBL6080967 0.73 NQO2 (0.36) PARP1KDM4EALDH1A1LMNAHPGD
SCHEMBL6080043 0.73 NQO2 (0.43) KDM4ETLR7LMNAHPGDMEN1
SCHEMBL6079783 0.72 PARP1 (0.45) PARP1ELANECHEK1KDM4ETDP1
SCHEMBL6080402 0.71 PARP1 (0.44) PARP1ELANECHEK1KDM4ETDP1
SCHEMBL6080558 0.69 KDM4E (0.40) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL6080289 0.68 PARP1 (0.41) PARP1ELANECHEK1KDM4ETDP1

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 1 patent. 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

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 3152/4885CHEK1 1175/4885

“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.