SCHEMBL6080191

SCHEMBL6080191

Nc1cc(C(=O)O)nc2c(N)cccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALOX15 P16050 3/20 0.44
TSHR P16473 2/20 0.44
ACMSD Q8TDX5 1/20 0.44
PARP1 P09874 1/20 0.41
ELANE P08246 1/20 0.41
KMT2A Q03164 1/20 0.41
FDPS P14324 1/20 0.41
GPR35 Q9HC97 2/20 0.39
NR4A2 P43354 1/20 0.39
HIF1A Q16665 1/20 0.38
MMP2 P08253 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6079537 0.87 KDM4E (0.54) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6080058 0.87 KDM4E (0.46) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6081065 0.83 MMP2 (0.53) KDM4ETDP1FDPSMMP2
SCHEMBL6079787 0.81 NQO2 (0.49) KDM4ETDP1PARP1ELANEMAPT
Hydrochloric Acid SCHEMBL6080437 0.81 KDM4E (0.41) KDM4ETDP1ALOX15PARP1ELANE
SCHEMBL6597624 0.79 KDM4E (0.41) KDM4EFDPSHIF1A
SCHEMBL6605390 0.79 FDPS (0.38) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL1314146 0.79 ALOX15 (0.58) KDM4ETDP1ALOX15TSHRMAPT
Hydrochloric Acid SCHEMBL6080849 0.78 FDPS (0.37) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6591659 0.78 NPC1 (0.44) KDM4ETDP1ALOX15KMT2AFDPS

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 KDM4E 1006/4885TDP1 2264/4885ALOX15 2210/4885

“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.