SCHEMBL2290467

SCHEMBL2290467

C=CCNCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AGTR1 P30556 1/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2298280 0.83 SMN1; SMN2 (0.50) GSK3BKDM4ERAB9AMEN1KMT2A
SCHEMBL10584512 0.83 KDM4E (0.43) KDM4ERAB9AMEN1KMT2AHPGD
SCHEMBL2296870 0.83 NPC1 (0.47) KDM4ERAB9AMEN1KMT2AAGTR1
SCHEMBL4413289 0.82 KDM4E (0.60) GSK3BERCC5FEN1L3MBTL1KDM4E
SCHEMBL10580254 0.79 ALDH1A1 (0.57) L3MBTL1RAB9AMEN1KMT2AHPGD
SCHEMBL2298238 0.78 MAPT (0.54) GSK3BKDM4EMEN1KMT2AMAPT
SCHEMBL9768042 0.77 ALPG (0.46) L3MBTL1KDM4EHPGDMAPTALDH1A1
SCHEMBL23014514 0.77 GSK3B (0.53) GSK3BERCC5FEN1L3MBTL1KDM4E
SCHEMBL2298462 0.77 GSK3B (0.53) GSK3BERCC5FEN1L3MBTL1KDM4E
SCHEMBL4511097 0.77 ERCC5 (0.56) GSK3BERCC5FEN1L3MBTL1KDM4E

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 GSK3B 54/4885ERCC5 4731/4885FEN1 3368/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GSK3B 54/4885ERCC5 4731/4885FEN1 3368/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GSK3B 54/4885ERCC5 4731/4885FEN1 3368/4885

“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.