SCHEMBL4300610

SCHEMBL4300610

CCOC(=O)c1cn(C2CC2)c2c(OC)c(-c3cc4n(c3)C[C@H](COC(C)(C)C)N(C)C4)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
KCNH2 Q12809 4/20 0.40
TOP2A P11388 4/20 0.39
TOP2B Q02880 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3B P49841 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4300605 1.00 ADRB2 (0.44) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL4298551 0.88 ADRB2 (0.46) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL4296299 0.82 KCNH2 (0.51) KCNH2TOP2ATOP2BKDM4EALDH1A1
SCHEMBL4296294 0.82 KCNH2 (0.51) KCNH2TOP2ATOP2BKDM4EALDH1A1
SCHEMBL4304490 0.78 KDM4E (0.54) KCNH2TOP2ATOP2BKDM4EALDH1A1
SCHEMBL4302279 0.78 KDM4E (0.54) KCNH2TOP2ATOP2BKDM4EALDH1A1
SCHEMBL4304485 0.78 KDM4E (0.54) KCNH2TOP2ATOP2BKDM4EALDH1A1
SCHEMBL30944930 0.74 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL7011678 0.74 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL29391687 0.74 ADRB2 (0.61) ADRB2KCNH2TOP2ATOP2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 ADRB2 3156/4885KCNH2 3433/4885TOP2A 65/4885

“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.