SCHEMBL6080552

SCHEMBL6080552

CN(C)c1cccc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CA P42336 6/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4A O75164 1/20 0.39
CA2 P00918 1/20 0.39
IGFBP3 P17936 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
Hydrochloric Acid SCHEMBL6080538 0.85 CSNK2A1 (0.45) KDM4EKMT2APIK3CATDP1ALOX15
SCHEMBL6080192 0.85 LCK (0.40) KDM4ETSHRGAAMCL1MAPT
Hydrochloric Acid SCHEMBL6080861 0.82 RPS6KB1 (0.41) KDM4EKMT2AALOX15
Xanthurenate SCHEMBL29394132 0.81 KDM4E (0.59) KDM4EKMT2ATSHRTDP1ALOX15
Xanthurenate SCHEMBL29911018 0.81 KDM4E (0.59) KDM4EKMT2ATSHRTDP1ALOX15
Xanthurenate SCHEMBL379760 0.81 KDM4E (0.59) KDM4EKMT2ATSHRTDP1ALOX15
SCHEMBL2909426 0.80 KDM4E (0.49) KDM4EKMT2ATSHRGAATDP1
SCHEMBL6080058 0.77 KDM4E (0.46) KDM4EKMT2ATSHRTDP1ALOX15
SCHEMBL6594758 0.77 KDM4E (0.46) KDM4EKMT2ATSHRTDP1ALOX15
SCHEMBL3333164 0.77 GRM2 (0.48) KDM4EKMT2ATSHRTDP1ALOX15

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 KDM4E 1006/4885KMT2A 1384/4885PIK3CA 1422/4885

“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.