SCHEMBL19729372

SCHEMBL19729372

CCOC(=O)c1cn(-c2cc(N)c(F)cc2COC(C)=O)c2c(Cl)c(N3CC(C)(NC)C3)c(F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
ADRB2 P07550 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
TOP1 P11387 3/20 0.32
TOP2A P11388 3/20 0.32
CMA1 P23946 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL19729304 0.93 STAT3 (0.40) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL19729066 0.92 STAT3 (0.38) STAT3KDM4EHPGDKMT2ACYP2C19
SCHEMBL19729071 0.92 STAT3 (0.38) STAT3KDM4EHPGDKMT2ACYP2C19
SCHEMBL19728362 0.88 KMT2A (0.42) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL19729220 0.88 KDM4E (0.42) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL19728361 0.87 CYP3A4 (0.43) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL19728744 0.86 TOP2A (0.44) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL20912568 0.86 CYP3A4 (0.42) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL19728770 0.85 ALDH1A1 (0.49) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL20912562 0.85 CYP3A4 (0.42) STAT3CYP3A4CYP2C9KDM4EHPGD

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 STAT3 1884/4885CYP3A4 3514/4885CYP2C9 154/4885

“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.