SCHEMBL2297566

SCHEMBL2297566

C=CCNC[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AOC3 Q16853 1/20 0.41
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRB2 P07550 1/20 0.38
ATM Q13315 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
PLA2G1B P04054 1/20 0.37
POLB P06746 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NMUR2 Q9GZQ4 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
SCHEMBL2293479 1.00 KDM4E (0.44) KDM4EL3MBTL1AOC3LMNAACHE
SCHEMBL27200368 0.83 KDM4E (0.44) KDM4EL3MBTL1AOC3LMNAACHE
SCHEMBL2297666 0.83 KDM4E (0.44) KDM4EL3MBTL1AOC3ACHEHPGD
SCHEMBL2296376 0.83 KDM4E (0.44) KDM4EL3MBTL1AOC3ACHEHPGD
SCHEMBL27711186 0.83 KDM4E (0.44) KDM4EL3MBTL1AOC3ACHEHPGD
SCHEMBL2290184 0.83 KDM4E (0.44) KDM4EL3MBTL1AOC3LMNAACHE
SCHEMBL2291816 0.83 KDM4E (0.44) KDM4EL3MBTL1AOC3LMNAACHE
SCHEMBL6390836 0.82 KDM4E (0.68) KDM4EL3MBTL1AOC3LMNAADRB2
SCHEMBL31620154 0.82 KDM4E (0.68) KDM4EL3MBTL1AOC3LMNAADRB2
SCHEMBL10773547 0.79 AOC3 (0.59) KDM4EL3MBTL1AOC3ACHEADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885L3MBTL1 4453/4885AOC3 2101/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885L3MBTL1 4453/4885AOC3 2101/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885L3MBTL1 4453/4885AOC3 2101/4885

“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.