SCHEMBL1700904

SCHEMBL1700904

CCOC(=O)c1ccc(NC(c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 9/20 0.71
P4HB P07237 4/20 0.71
ALDH1A1 P00352 3/20 0.71
TP53 P04637 3/20 0.71
CYP2C9 P11712 3/20 0.71
CYP2C19 P33261 3/20 0.71
HIF1A Q16665 3/20 0.71
HSP90AA1 P07900 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALOX15 P16050 1/20 0.55
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALOX12 P18054 1/20 0.53
RAB9A P51151 1/20 0.53
PAX8 Q06710 1/20 0.53

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
SCHEMBL1700877 0.89 RCE1 (0.74) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL14961225 0.88 RCE1 (0.79) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL14955655 0.87 RCE1 (0.83) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL14955656 0.87 RCE1 (0.83) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL12064843 0.85 RCE1 (0.72) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL17131908 0.84 RCE1 (0.75) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL1702435 0.84 P4HB (1.00) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL1700949 0.79 RCE1 (0.73) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL18131634 0.78 P4HB (0.75) RCE1P4HBALDH1A1TP53CYP2C9
SCHEMBL18131632 0.78 P4HB (0.75) RCE1P4HBALDH1A1TP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566849-A1 8-HYDROXY-QUINOLINE DERIVATIVES "Avidin" Kutató, Fejleszt És Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2013-03-13 EP claimed
WO-2011148208-A1 8-HYDROXY-QUINOLINE DERIVATIVES "AVIDIN" KUTATÓ, FEJLESZTŐ ÉS KERESKEDELMI KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-12-01 WO claimed
EP-2566849-B1 8-HYDROXY-QUINOLINE DERIVATIVES AVIDIN KUTATO FEJLESZTOE ES KERESKEDELMI KORLATOLT FELELOESSEGUE TARSASAG (HU) 2019-09-18 EP disclosed
EP-2566849-B1 8-HYDROXY-QUINOLINE DERIVATIVES AVIDIN KUTATO FEJLESZTOE ES KERESKEDELMI KORLATOLT FELELOESSEGUE TARSASAG (HU) 2019-09-18 EP disclosed
US-8871937-B2 8-hydroxy-quinoline derivatives “AVIDIN” Kutato, Fejleszto es Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2014-10-28 US disclosed
US-8871937-B2 8-hydroxy-quinoline derivatives “AVIDIN” Kutato, Fejleszto es Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2014-10-28 US disclosed
US-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES UBICHEM KUTATO KORLATOLT FELELOSSEGU TARSASAG (HU) 2013-05-23 US disclosed
US-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES UBICHEM KUTATO KORLATOLT FELELOSSEGU TARSASAG (HU) 2013-05-23 US disclosed
EP-2566849-A1 8-HYDROXY-QUINOLINE DERIVATIVES "Avidin" Kutató, Fejleszt És Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2013-03-13 EP disclosed
WO-2011148208-A1 8-HYDROXY-QUINOLINE DERIVATIVES "AVIDIN" KUTATÓ, FEJLESZTŐ ÉS KERESKEDELMI KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-12-01 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-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES CYP2C8, NQO1, KEAP1 RCE1 1086/4885P4HB 1817/4885ALDH1A1 304/4885

“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.