SCHEMBL7828943

SCHEMBL7828943

O=c1[nH]ccn(Cc2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
DBH P09172 2/20 0.59
MAPK14 Q16539 4/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
F2 P00734 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
SCHEMBL4101771 0.81 DBH (0.62) ALDH1A1DBHHPGDKMT2APOLB
SCHEMBL17674871 0.81 DBH (0.65) ALDH1A1DBHMAPK14KMT2APOLB
SCHEMBL12143941 0.79 MAPT (0.56) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL29004018 0.74 DBH (0.62) ALDH1A1DBHHPGDKMT2APOLB
SCHEMBL11079680 0.74 DBH (1.00) ALDH1A1DBHHPGDKMT2APOLB
SCHEMBL6385918 0.73 MEN1 (0.46) ALDH1A1DBHMAPK14HPGDLMNA
SCHEMBL1774558 0.73 HTR6 (0.49) ALDH1A1DBHHPGDLMNAKMT2A
SCHEMBL30948096 0.73 CYP11B1 (0.52) ALDH1A1DBHBRD4MAPT
SCHEMBL15804049 0.70 BRD4 (0.54) ALDH1A1MAPK14HPGDLMNABRD4
SCHEMBL29001250 0.70 LMNA (0.58) ALDH1A1MAPK14HPGDLMNABRD4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
WO-2010147969-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147975-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147973-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
WO-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 WO disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 WO 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 (6 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885DBH 246/4885MAPK14 4166/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1670/4885DBH 270/4885MAPK14 3873/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1670/4885DBH 270/4885MAPK14 3873/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885DBH 252/4885MAPK14 3807/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1719/4885DBH 247/4885MAPK14 3795/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885DBH 246/4885MAPK14 4166/4885

“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.