SCHEMBL2294465

SCHEMBL2294465

C[C@H](NCC(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.59
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
APAF1 O14727 1/20 0.54
DPP4 P27487 1/20 0.50
AGTR1 P30556 1/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDPK1 O15530 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
ATM Q13315 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
SCHEMBL2293528 1.00 GPR139 (0.59) GPR139MEN1KMT2AAPAF1DPP4
SCHEMBL2293531 1.00 GPR139 (0.59) GPR139MEN1KMT2AAPAF1DPP4
SCHEMBL2295411 0.85 NPC1 (0.61) GPR139KMT2AAPAF1DPP4AGTR1
SCHEMBL2295415 0.85 NPC1 (0.61) GPR139KMT2AAPAF1DPP4AGTR1
SCHEMBL2298692 0.85 NPC1 (0.61) GPR139KMT2AAPAF1DPP4AGTR1
SCHEMBL2298989 0.85 ALDH1A1 (0.61) MEN1KMT2AAPAF1DPP4MAPT
SCHEMBL2298992 0.85 ALDH1A1 (0.61) MEN1KMT2AAPAF1DPP4MAPT
SCHEMBL2299046 0.85 ALDH1A1 (0.61) MEN1KMT2AAPAF1DPP4MAPT
SCHEMBL3485104 0.84 DPP4 (0.44) GPR139MEN1KMT2ADPP4AGTR1
SCHEMBL2294992 0.80 ALDH1A1 (0.54) MEN1KMT2AAPAF1MAPTALDH1A1

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 GPR139 2809/4885MEN1 1671/4885KMT2A 1798/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR139 2809/4885MEN1 1671/4885KMT2A 1798/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR139 2809/4885MEN1 1671/4885KMT2A 1798/4885

“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.