SCHEMBL19729428

SCHEMBL19729428

CCOC(=O)c1cn(-c2cc(N)c(F)cc2CO)c2c(Cl)c(N3CCC(N)C3)c(F)c(C)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
STAT3 P40763 1/20 0.39
TOP2A P11388 14/20 0.39
TOP2B Q02880 10/20 0.39
TOP1 P11387 2/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL19728820 0.94 STAT3 (0.41) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL19728713 0.92 ALDH1A1 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL19728814 0.90 STAT3 (0.41) ALDH1A1STAT3HTT
SCHEMBL19728704 0.88 STAT3 (0.39) ALDH1A1STAT3HTT
SCHEMBL19728804 0.88 STAT3 (0.40) ALDH1A1STAT3TOP2ATOP2BTOP1
SCHEMBL19728723 0.88 STAT3 (0.41) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL19729414 0.88 STAT3 (0.39) ALDH1A1STAT3HTT
SCHEMBL19729416 0.87 STAT3 (0.41) ALDH1A1STAT3HTT
SCHEMBL19729346 0.87 STAT3 (0.38) ALDH1A1STAT3HTT
SCHEMBL19728705 0.87 STAT3 (0.40) ALDH1A1STAT3HTT

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 ALDH1A1 960/4885POLB 1519/4885CHRM2 192/4885

“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.