SCHEMBL19729352

SCHEMBL19729352

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Br)c32)c(CO)cc1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 15/20 0.46
TOP1 P11387 7/20 0.46
TOP2B Q02880 9/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19728351 0.93 TOP2A (0.51) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19728610 0.90 TOP2A (0.43) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19729374 0.90 CYP3A4 (0.55) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19729347 0.90 TOP2A (0.44) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19728716 0.89 TOP2A (0.42) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19728594 0.88 TOP2A (0.60) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19728609 0.88 TOP2A (0.60) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19728720 0.88 KCNH2 (0.50) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19728599 0.88 TOP2A (0.42) TOP2ATOP1TOP2BCYP3A4CYP2C9
SCHEMBL19729060 0.87 TOP2A (0.42) TOP2ATOP1TOP2BCYP3A4CYP2C9

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 5 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
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 TOP2A 4246/4885TOP1 3571/4885TOP2B 4085/4885

“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.