SCHEMBL2296647

SCHEMBL2296647

C[C@H](NC[C@H](O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ANPEP P15144 1/20 0.48
AOC3 Q16853 3/20 0.47

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
SCHEMBL2295948 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL82474 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2295951 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL82473 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2293870 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL14943968 0.90 APAF1 (0.62) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10879127 0.90 APAF1 (0.62) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10879125 0.90 APAF1 (0.62) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL15899286 0.85 KDM4E (0.56) APAF1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3937954 0.85 KDM4E (0.56) APAF1KDM4EL3MBTL1SMN1; SMN2ALDH1A1

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 7 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
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
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

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 APAF1 3130/4885SLC6A2 4107/4885SLC6A4 3721/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 APAF1 3130/4885SLC6A2 4107/4885SLC6A4 3721/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 APAF1 3130/4885SLC6A2 4107/4885SLC6A4 3721/4885

“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.