SCHEMBL2291709

SCHEMBL2291709

C[C@@H](NCC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
EGFR P00533 2/20 0.54
ACACB O00763 1/20 0.54
PARP10 Q53GL7 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SRD5A2 P31213 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTA4H P09960 1/20 0.50
ALOX5 P09917 1/20 0.50
F7 P08709 1/20 0.50

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
SCHEMBL2291707 1.00 MAOB (0.56) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL2299041 1.00 MAOB (0.56) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL2294574 0.81 MAOB (0.65) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL2294139 0.80 APAF1 (0.43) ALDH1A1RAB9AL3MBTL1
SCHEMBL5082538 0.80 MAOB (0.56) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5082282 0.80 MAOB (0.56) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5076496 0.80 MAOB (0.56) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL2294142 0.80 APAF1 (0.43) ALDH1A1RAB9AL3MBTL1
SCHEMBL2296506 0.80 APAF1 (0.43) ALDH1A1RAB9AL3MBTL1
SCHEMBL2299514 0.79 MAOB (0.61) MAOBNR4A1NR4A2NR4A3EGFR

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 MAOB 653/4885NR4A1 2936/4885NR4A2 3729/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885NR4A1 2936/4885NR4A2 3729/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885NR4A1 2936/4885NR4A2 3729/4885

“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.