SCHEMBL2298462

SCHEMBL2298462

CCNCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
DPP4 P27487 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AGTR1 P30556 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL19954156 0.85 GSK3B (0.55) GSK3BERCC5FEN1ALDH1A1KDM4E
SCHEMBL2296624 0.81 HTR7 (0.55) ALDH1A1GAADPP4RAB9AHTT
Hydrochloric Acid SCHEMBL6466892 0.81 HSD17B3 (0.55) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL2295966 0.81 GSK3B (0.53) GSK3BALDH1A1POLBGAACTDSP1
SCHEMBL4511097 0.81 ERCC5 (0.56) GSK3BERCC5FEN1ALDH1A1KDM4E
SCHEMBL10614980 0.81 TPMT (0.43) ERCC5FEN1ALDH1A1GAAL3MBTL1
SCHEMBL8233178 0.80 GSK3B (0.48) GSK3BERCC5FEN1ALDH1A1KDM4E
SCHEMBL4506197 0.80 MEN1 (0.49) GSK3BERCC5FEN1ALDH1A1KDM4E
SCHEMBL2295610 0.80 GSK3B (0.57) GSK3BERCC5FEN1ALDH1A1KDM4E
SCHEMBL6046322 0.80 KMT2A (0.58) GSK3BERCC5FEN1ALDH1A1KDM4E

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 6 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
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.