SCHEMBL19728720

SCHEMBL19728720

COc1c(N2CC(O)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3CO)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRM1 P35372 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TOP1 P11387 9/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
TOP2A P11388 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TOP2B Q02880 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL19729434 0.94 TOP1 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19728839 0.92 TOP1 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19728722 0.91 KCNH2 (0.49) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19728370 0.90 STAT3 (0.42) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19729374 0.88 CYP3A4 (0.55) KDM4EALDH1A1POLBOPRM1TOP1
SCHEMBL19729352 0.88 TOP2A (0.46) KDM4EALDH1A1TOP1TOP2ATOP2B
SCHEMBL19729347 0.88 TOP2A (0.44) KDM4EALDH1A1TOP1TOP2ATOP2B
SCHEMBL19728811 0.85 TOP1 (0.42) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7010952 0.84 CYP3A4 (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19729386 0.83 CYP3A4 (0.51) KCNH2TOP1TOP2ATOP2BCYP3A4

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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
US-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 EP disclosed
WO-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 KCNH2 710/4885KDM4E 2371/4885ALDH1A1 960/4885

“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.