SCHEMBL2172545

SCHEMBL2172545

O=C(O)c1ccc2c(=O)cc[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 2/20 0.61
HPGD P15428 2/20 0.61
ENPP2 Q13822 1/20 0.61
AURKA O14965 2/20 0.51
TPX2 Q9ULW0 2/20 0.51
PARP1 P09874 3/20 0.49
SPR P35270 1/20 0.46
PTPN1 P18031 1/20 0.45
CSNK2A1 P68400 3/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CCR8 P51685 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL30829606 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL2173284 0.80 NPC1 (0.55) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL16112245 0.77 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDSIRT2
SCHEMBL29583385 0.76 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL50542 0.76 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL4595294 0.76 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL3548319 0.75 AURKA (0.63) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL30166619 0.75 SPR (0.59) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL2001808 0.75 SPR (0.59) KDM4EALDH1A1HSD17B10HPGDENPP2
SCHEMBL6419348 0.74 F7 (0.51) KDM4EALDH1A1HSD17B10HPGDENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 KDM4E 2492/4885ALDH1A1 887/4885HSD17B10 3699/4885

“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.