SCHEMBL6079734

SCHEMBL6079734

O=C(O)c1cc(-c2ccccc2)c2cccc(O)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.54
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 2/20 0.51
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
GRM2 Q14416 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CCR6 P51684 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
DHODH Q02127 1/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL6080864 0.89 DHODH (0.51) MMP2KDM4EKMT2ATNKSPARP1
SCHEMBL6052793 0.85 MMP2 (0.53) MMP2KDM4EGRM2ALDH1A1MAPT
SCHEMBL6081065 0.84 MMP2 (0.53) MMP2KDM4EGRM2CYP3A4CYP2C8
Xanthurenate SCHEMBL29911018 0.82 KDM4E (0.59) KDM4EKMT2ATNKSPARP1TNKS2
Xanthurenate SCHEMBL29394132 0.82 KDM4E (0.59) KDM4EKMT2ATNKSPARP1TNKS2
Xanthurenate SCHEMBL379760 0.82 KDM4E (0.59) KDM4EKMT2ATNKSPARP1TNKS2
SCHEMBL6079850 0.82 CYP3A4 (0.52) MMP2KDM4EKMT2ACYP3A4CYP2C8
SCHEMBL6080102 0.81 KDM4E (0.56) KDM4EKMT2ATNKSPARP1TNKS2
SCHEMBL28295128 0.81 CCR6 (0.56) KDM4EKMT2ATNKSPARP1TNKS2
SCHEMBL1811192 0.80 PDE10A (0.61) MMP2KDM4ETNKSTNKS2GRM2

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 MMP2 4090/4885KDM4E 1006/4885KMT2A 1384/4885

“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.