SCHEMBL2089332

SCHEMBL2089332

CCOC(=O)/C=C/CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CTSK P43235 3/20 0.35
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL31449935 1.00 MAPT (0.42) MAPTHCAR2ALDH1A1MEN1KMT2A
SCHEMBL1909823 1.00 MAPT (0.42) MAPTHCAR2ALDH1A1MEN1KMT2A
SCHEMBL15298866 0.85 TDP1 (0.42) HCAR2MEN1KMT2ATDP1GAA
SCHEMBL30925637 0.85 TDP1 (0.42) HCAR2MEN1KMT2ATDP1GAA
SCHEMBL17445860 0.82 ZDHHC20 (0.43) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL3464573 0.82 MAPT (0.53) MAPTHCAR2ALDH1A1MEN1KMT2A
SCHEMBL3464574 0.82 MAPT (0.53) MAPTHCAR2ALDH1A1MEN1KMT2A
SCHEMBL18487257 0.80 TDP1 (0.50) MEN1KMT2ATDP1GAACA12
SCHEMBL18262007 0.80 TDP1 (0.50) MEN1KMT2ATDP1GAACA12
SCHEMBL18262010 0.80 TDP1 (0.50) MEN1KMT2ATDP1GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 WO disclosed
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 US disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 US disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 US disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 WO disclosed
WO-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 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 (2 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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 MAPT 4706/4885HCAR2 2649/4885ALDH1A1 2592/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 MAPT 4701/4885HCAR2 2709/4885ALDH1A1 2994/4885

“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.