SCHEMBL6080102

SCHEMBL6080102

Cc1cc(C(=O)O)nc2c(O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 2/20 0.46
PARP1 P09874 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CCR6 P51684 1/20 0.44
GPR35 Q9HC97 2/20 0.44
KDM4A O75164 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 2/20 0.42
PRNP P04156 1/20 0.42
HPGD P15428 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
Xanthurenate SCHEMBL29394132 0.85 KDM4E (0.59) KDM4ERAB9ATDP1MAPTKMT2A
Xanthurenate SCHEMBL379760 0.85 KDM4E (0.59) KDM4ERAB9ATDP1MAPTKMT2A
Xanthurenate SCHEMBL29911018 0.85 KDM4E (0.59) KDM4ERAB9ATDP1MAPTKMT2A
SCHEMBL30744879 0.83 KDM4E (0.51) KDM4ERAB9ATDP1MAPTKMT2A
SCHEMBL6079734 0.81 MMP2 (0.54) KDM4ERAB9AMAPTKMT2ACYP1A2
SCHEMBL6079537 0.81 KDM4E (0.54) KDM4ERAB9ATDP1KMT2ACYP1A2
SCHEMBL2909426 0.81 KDM4E (0.49) KDM4ERAB9ATDP1MAPTKMT2A
SCHEMBL1815345 0.80 ALOX15 (0.64) KDM4EMAPTKMT2AALDH1A1CCR6
SCHEMBL29531273 0.80 ALOX15 (0.64) KDM4EMAPTKMT2AALDH1A1CCR6
SCHEMBL6596151 0.80 GPR35 (0.56) KDM4ERAB9ATDP1MAPTKMT2A

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 4 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-20080119517-A1 COMPOSITIONS AND METHODS FOR PROTECTING AGAINST MITOCHONDRIA COMPONENT-MEDIATED PATHOLOGY CORNELL RESEARCH FOUNDATION, INC. (US) 2008-05-22 US disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 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 KDM4E 1006/4885RAB9A 431/4885TDP1 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.