SCHEMBL16628857

SCHEMBL16628857

O=C1NC(=O)c2c(Oc3ccc(-c4cccc5c4C(=O)NC5=O)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
GSK3B P49841 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GSTP1 P09211 1/20 0.38
ATM Q13315 1/20 0.37
PTGS2 P35354 1/20 0.37
STK10 O94804 2/20 0.37
SLK Q9H2G2 2/20 0.37
PARP1 P09874 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5506330 0.85 MAOA (0.51) MAOAMAOBGSK3BALDH1A1KDM4E
SCHEMBL262473 0.83 GSK3B (0.50) MAOAMAOBGSK3BALDH1A1KDM4E
SCHEMBL28812042 0.81 MAOA (0.59) MAOAMAOBGSK3BHPGDATM
SCHEMBL9550305 0.81 KCNA5 (0.40) MAOAMAOBGSK3BALDH1A1KDM4E
SCHEMBL30956736 0.78 CASP3 (0.48) GSK3BALDH1A1KDM4EHPGDGAA
SCHEMBL30830771 0.77 HTR2A (0.42) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL28312278 0.77 CES1 (0.43)
SCHEMBL28263990 0.77 GSK3B (0.37) MAOAMAOBGSK3BALDH1A1KDM4E
SCHEMBL9768590 0.76 KDM4E (0.51) GSK3BALDH1A1KDM4EHPGDGAA
SCHEMBL135332 0.76 GSK3B (0.56) GSK3BALDH1A1KDM4EHPGDGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505522-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2020-10-14 EP disclosed
US-10385076-B2 Surface treatment agent and novel compound Mori, Kunio (JP) 2019-08-20 US disclosed
EP-3505522-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2019-07-03 EP disclosed
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 EP 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 (3 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET MAOA 36/4885MAOB 62/4885GSK3B 2498/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM MAOA 236/4885MAOB 530/4885GSK3B 2763/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM MAOA 236/4885MAOB 530/4885GSK3B 2763/4885

“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.