SCHEMBL2173284

SCHEMBL2173284

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
KIF11 P52732 1/20 0.54
PARP1 P09874 3/20 0.54
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 1/20 0.49
CSNK2A1 P68400 1/20 0.48
ASH1L Q9NR48 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
DYRK1A Q13627 1/20 0.46
NR4A2 P43354 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL2177132 0.88 KDM4E (0.62) NPC1KIF11PARP1ALDH1A1HSD17B10
SCHEMBL16112245 0.84 ALDH1A1 (0.56) NPC1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2172545 0.80 KDM4E (0.61) PARP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8522327 0.79 ALDH1A1 (0.43) NPC1KIF11PARP1ALDH1A1HSD17B10
SCHEMBL30616265 0.79 NR4A2 (0.48) KIF11ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL21201211 0.79 NR4A2 (0.48) KIF11ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL30201504 0.79 ALDH1A1 (0.64) NPC1KIF11PARP1ALDH1A1HSD17B10
SCHEMBL145507 0.79 ALDH1A1 (0.64) NPC1KIF11PARP1ALDH1A1HSD17B10
SCHEMBL2804991 0.78 NPC1 (0.62) NPC1KIF11PARP1ALDH1A1RAB9A
SCHEMBL20875014 0.78 NR4A2 (0.46) NPC1KIF11PARP1ALDH1A1RAB9A

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
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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 NPC1 1324/4885KIF11 2380/4885PARP1 151/4885

“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.