SCHEMBL6080980

SCHEMBL6080980

O=C(O)c1cc(O)c2cc(-c3cccnc3)cc(O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMO O15229 2/20 0.47
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
DHODH Q02127 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.43
CYP19A1 P11511 2/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
ERN1 O75460 2/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL6080080 0.86 MCL1 (0.46) KDM4ERAB9AKMODHODHEGFR
SCHEMBL6080911 0.85 CYP19A1 (0.50) L3MBTL1KDM4ENPC1RAB9AMKNK1
SCHEMBL6593585 0.81 CYP11B1 (0.47) L3MBTL1KMOCYP19A1CYP11B1CYP11B2
SCHEMBL6079784 0.79 KMO (0.46) L3MBTL1KDM4ENPC1RAB9AKMO
SCHEMBL6080018 0.79 KMO (0.46) KDM4ERAB9AKMODHODHGPR35
SCHEMBL6080914 0.78 L3MBTL1 (0.52) L3MBTL1KDM4ENPC1RAB9AKMO
SCHEMBL6080570 0.77 SCN9A (0.43) KDM4EDHODH
SCHEMBL6079979 0.77 MCL1 (0.50) KMODHODHGPR35ALDH1A1CYP1A2
SCHEMBL6080200 0.76 GPR35 (0.42) KDM4ERAB9AKMOGPR35
SCHEMBL6080194 0.75 KMO (0.51) KDM4ENPC1RAB9AKMODHODH

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 L3MBTL1 4069/4885KDM4E 1006/4885NPC1 1911/4885

“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.