SCHEMBL3289090

SCHEMBL3289090

CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(Cl)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL4161766 1.00 NPSR1 (0.40) NPSR1CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL3289092 1.00 NPSR1 (0.40) NPSR1CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL12610995 0.90 NPSR1 (0.40) NPSR1CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL12610996 0.90 NPSR1 (0.40) NPSR1CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL3289338 0.84 NPSR1 (0.43) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8200819 0.84 NPSR1 (0.41) NPSR1ALDH1A1HPGDCYP2C9MEN1
SCHEMBL21859001 0.82 CYP2C9 (0.41) NPSR1ALDH1A1HPGDCYP2C9MEN1
SCHEMBL21859000 0.82 CYP2C9 (0.41) NPSR1ALDH1A1HPGDCYP2C9MEN1
SCHEMBL8202831 0.81 NPSR1 (0.44) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL21174039 0.80 NPSR1 (0.45) NPSR1CYP11B1CYP11B2ALDH1A1HPGD

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-7718621-B2 Macrolones—amino substituted quinolones GLAXO GROUP LTD. (GB) 2010-05-18 US disclosed
US-20080090773-A1 Macrolones - Amino Substituted Quinolones GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050942-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2006-05-18 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-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 NPSR1 3758/4885CYP11B1 808/4885CYP11B2 809/4885

“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.