SCHEMBL6080455

SCHEMBL6080455

CNc1cc(C(=O)O)nc2c([N+](=O)[O-])cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.47
CDC25B P30305 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR35 Q9HC97 1/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
AKR1C4 P17516 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
APP P05067 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EIF4A1 P60842 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MMP2 P08253 1/20 0.39

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
SCHEMBL6080458 0.88 APP (0.49) HCAR3MEN1KMT2AMAPTL3MBTL1
SCHEMBL6080952 0.81 KMT2A (0.48) MEN1KMT2AGPR35MAPTL3MBTL1
SCHEMBL6590529 0.81 KMT2A (0.48) MEN1KMT2AGPR35MAPTL3MBTL1
SCHEMBL6592682 0.81 TDP1 (0.48) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL6595549 0.81 TDP1 (0.48) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL6591013 0.80 MEN1 (0.54) MEN1KMT2AGPR35MAPTL3MBTL1
SCHEMBL6591021 0.80 MEN1 (0.54) MEN1KMT2AGPR35MAPTL3MBTL1
SCHEMBL6594282 0.78 MEN1 (0.50) MEN1KMT2AGPR35MAPTALDH1A1
SCHEMBL6594275 0.78 MEN1 (0.50) MEN1KMT2AGPR35MAPTALDH1A1
Hydrochloric Acid SCHEMBL6080437 0.77 KDM4E (0.41) CDC25BTDP1MMP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCAR3 3530/4885CDC25B 2074/4885MEN1 740/4885

“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.