SCHEMBL2296266

SCHEMBL2296266

O=C(CBr)N(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2294819 1.00 KDM4E (0.42) KDM4EKMT2AMEN1SMN1; SMN2AOC3
SCHEMBL2296468 0.88 MEN1 (0.43) KDM4EKMT2AMEN1SMN1; SMN2AOC3
SCHEMBL2294583 0.88 MEN1 (0.43) KDM4EKMT2AMEN1SMN1; SMN2AOC3
SCHEMBL2294891 0.87 TDP1 (0.46) KDM4EKMT2AMEN1SMN1; SMN2AOC3
SCHEMBL2296124 0.87 TDP1 (0.46) KDM4EKMT2AMEN1SMN1; SMN2AOC3
SCHEMBL25181454 0.87 TDP1 (0.46) KDM4EKMT2AMEN1SMN1; SMN2AOC3
SCHEMBL2300097 0.83 ALOX5 (0.49)
SCHEMBL2294878 0.83 CRHBP (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2293181 0.83 ALOX5 (0.49)
SCHEMBL2293489 0.83 CRHBP (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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 KDM4E 842/4885KMT2A 1798/4885MEN1 1671/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885KMT2A 1798/4885MEN1 1671/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885KMT2A 1798/4885MEN1 1671/4885

“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.