SCHEMBL957751

SCHEMBL957751

Fc1ccc(CN2CCc3c(Br)cccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GRM2 Q14416 2/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR6 P50406 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.43
ALOX5 P09917 2/20 0.42
EPHX2 P34913 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL15958975 0.79 FABP4 (0.51) LMNASMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL8042876 0.74 ALDH1A1 (0.44) LMNASMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL21383569 0.73 HDAC1 (0.53) SMN1; SMN2L3MBTL1ALDH1A1HDAC1HDAC6
SCHEMBL16685030 0.71 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1HTR6TDP1
SCHEMBL4616558 0.70 LMNA (0.43) LMNASMN1; SMN2L3MBTL1HTTGRM2
SCHEMBL8334165 0.69 HTR2A (0.44) HTR6
SCHEMBL11345303 0.69 HTR6 (0.52) L3MBTL1HTR6KMT2APOLB
SCHEMBL11304976 0.69 HTR6 (0.62) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL28801601 0.68 ALDH1A1 (0.61) LMNASMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL1761246 0.68 ALDH1A1 (0.41) LMNASMN1; SMN2L3MBTL1HTTALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 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
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
CN-101939315-A Gamma secretase modulators SCHERING CORP 2011-01-05 CN disclosed
EP-2229381-A1 GAMMA SECRETASE MODULATORS Schering Corporation (US) 2010-09-22 EP disclosed
WO-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 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 (1 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-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 2080/4885SMN1; SMN2 1580/4885L3MBTL1 3426/4885

“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.