SCHEMBL6079660

SCHEMBL6079660

CCc1c(C(=O)O)nc2c(N)cccc2c1O.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DHFR P00374 3/20 0.36
HAO2 Q9NYQ3 1/20 0.36
DUSP3 P51452 1/20 0.35
PARP1 P09874 2/20 0.35
BCL2 P10415 1/20 0.35
ELANE P08246 1/20 0.35
GAA P10253 1/20 0.34
CCR6 P51684 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL6079395 0.94 PARP1 (0.38) DHODHKDM4ETDP1PARP1ELANE
Benzene SCHEMBL6080781 0.94 PARP1 (0.38) DHODHKDM4ETDP1PARP1ELANE
SCHEMBL6081190 0.87 DHFR (0.39) KDM4ETDP1DHFRCCR6
SCHEMBL6079745 0.82 DUSP3 (0.38) DHODHKDM4EDHFRHAO2DUSP3
SCHEMBL6080126 0.78 PARP1 (0.36) KDM4ETDP1PARP1ELANEMMP2
SCHEMBL6079655 0.78 RNASEH1 (0.43) TDP1MMP2
Hydrochloric Acid SCHEMBL6079915 0.77 TLR8 (0.36) KDM4ETDP1PARP1ELANEMMP2
SCHEMBL6080402 0.76 PARP1 (0.44) DHODHKDM4ETDP1PARP1ELANE
SCHEMBL6080559 0.76 MCL1 (0.38) DHODHGAA
SCHEMBL6080956 0.74 FBP1 (0.51) KDM4ETDP1GAA

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 DHODH 188/4885KDM4E 1006/4885TDP1 2264/4885

“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.