SCHEMBL19728779

SCHEMBL19728779

CCOC(=O)c1cn(-c2cc(N)c(F)cc2COC(C)=O)c2c(Cl)c(NCCN3CCOCC3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.49
TOP2A P11388 1/20 0.49
RXFP1 Q9HBX9 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.39
ATM Q13315 1/20 0.38
RAD52 P43351 1/20 0.37
UHRF1 Q96T88 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
SCHEMBL19729364 0.96 TOP1 (0.45) TOP1TOP2ARXFP1SMN1; SMN2KMT2A
SCHEMBL19729368 0.90 TOP1 (0.44) TOP1TOP2ARXFP1KMT2AKDM4E
SCHEMBL20912644 0.88 ADRB2 (0.42) TOP1TOP2AKMT2AALDH1A1KDM4E
SCHEMBL19728358 0.87 STAT3 (0.41) TOP1TOP2AKMT2AALDH1A1KDM4E
SCHEMBL20912631 0.87 KDM4E (0.41) TOP1TOP2ASMN1; SMN2KMT2AALDH1A1
SCHEMBL20912567 0.87 HSD17B10 (0.40) TOP1TOP2ASMN1; SMN2KMT2AALDH1A1
SCHEMBL19728755 0.85 STAT3 (0.39) TOP1TOP2AKMT2AALDH1A1KDM4E
SCHEMBL19728749 0.85 STAT3 (0.41) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19728790 0.85 ADRB2 (0.54) TOP1TOP2AKMT2AALDH1A1KDM4E
SCHEMBL19728752 0.84 ADRB2 (0.39) TOP1TOP2AKMT2AALDH1A1KDM4E

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 TOP1 3571/4885TOP2A 4246/4885RXFP1 233/4885

“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.