SCHEMBL961634

SCHEMBL961634

O=C1C(=O)N(Cc2ccc(F)cc2)c2cccc(Br)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
UBE2N P61088 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CASP3 P42574 2/20 0.51
CHRM5 P08912 4/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CES1 P23141 3/20 0.46
ACHE P22303 2/20 0.46
ALDH3A1 P30838 5/20 0.45
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 4/20 0.44
ALDH2 P05091 2/20 0.44

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
SCHEMBL15215035 0.87 ALDH1A1 (0.59) CASP3CHRM5CHRM1CHRM3CA12
SCHEMBL3860379 0.86 CA2 (0.56) HPGDUBE2NCHRM5CHRM1CHRM3
SCHEMBL29460878 0.82 CASP3 (0.54) L3MBTL1CASP3CHRM5CHRM1CHRM3
SCHEMBL4739205 0.82 CASP3 (0.54) L3MBTL1CASP3CHRM5CHRM1CHRM3
SCHEMBL4597810 0.76 CES1 (0.77) LMNAHPGDUBE2NATML3MBTL1
SCHEMBL30774308 0.76 CES1 (0.77) LMNAHPGDUBE2NATML3MBTL1
SCHEMBL23145007 0.75 CES1 (0.38) CHRM5CHRM1CHRM3CA12CA2
SCHEMBL29811809 0.75 CES1 (0.38) CHRM5CHRM1CHRM3CA12CA2
SCHEMBL281789 0.72 CYP1B1 (0.55) LMNACHRM5CHRM1CHRM3CES1
SCHEMBL2998053 0.72 MEN1 (0.48) HPGDATMCA12CA9CES1

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 8 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
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 2080/4885HPGD 2475/4885UBE2N 558/4885

“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.