SCHEMBL4296299

SCHEMBL4296299

COc1c(-c2cc3n(c2)C[C@H](CO)N(C)C3)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
OPRM1 P35372 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GSK3B P49841 2/20 0.49
TOP2A P11388 5/20 0.47
TOP2B Q02880 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4296294 1.00 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4304485 0.90 KDM4E (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4304490 0.90 KDM4E (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4302279 0.90 KDM4E (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4300605 0.82 ADRB2 (0.44) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4300610 0.82 ADRB2 (0.44) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4302174 0.82 KDM4E (0.62) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4297666 0.82 KDM4E (0.62) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4300307 0.82 KDM4E (0.62) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4298551 0.81 ADRB2 (0.46) KCNH2KDM4EALDH1A1HPGDHSD17B10

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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US claimed
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
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 KCNH2 3433/4885KDM4E 2817/4885ALDH1A1 2331/4885

“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.