SCHEMBL3289249

SCHEMBL3289249

CCOC(=O)c1cn2c3c(cc(CCCNC(=O)OC(C)(C)C)cc3c1=O)OCN2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
ADRB2 P07550 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAN2B1 O00754 1/20 0.33
BRD4 O60885 1/20 0.33
CNR2 P34972 1/20 0.32
DYRK1A Q13627 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3293676 0.84 STAT3 (0.32) ALDH1A1MAPTADRB2KDM4EHPGD
SCHEMBL4172529 0.83 BRD4 (0.35) SIGMAR1ALDH1A1MAPTADRB2ADORA3
SCHEMBL4174568 0.79 KDM4E (0.34) SIGMAR1ALDH1A1MAPTADRB2ADORA3
SCHEMBL4172778 0.77 ADRB2 (0.38) SIGMAR1ALDH1A1MAPTADRB2ADORA3
SCHEMBL4172073 0.77 KDM4E (0.34) SIGMAR1ALDH1A1MAPTADRB2ADORA3
SCHEMBL3981476 0.77 MTNR1A (0.42) SIGMAR1ALDH1A1MAPTADRB2KDM4E
SCHEMBL4169502 0.77 LMNA (0.42) SIGMAR1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL3287574 0.77 KDM4E (0.39) ALDH1A1MAPTADRB2KDM4EHPGD
SCHEMBL3291075 0.76 HPGD (0.43) SIGMAR1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL3982430 0.74 LMNA (0.56) ALDH1A1MAPTKDM4EHPGDHSD17B10

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 2 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

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 SIGMAR1 1288/4885ALDH1A1 4140/4885MAPT 3434/4885

“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.