SCHEMBL3411086

SCHEMBL3411086

CCOC(=O)/C(=C\N(C)C)C(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
POLB P06746 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3411087 1.00 MEN1 (0.47) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL10475316 1.00 MEN1 (0.47) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL2382196 0.89 LMNA (0.45) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL2382197 0.89 LMNA (0.45) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL10513808 0.87 POLB (0.52) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL13885870 0.87 POLB (0.52) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL23289780 0.85 LMNA (0.47) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL22774514 0.85 LMNA (0.47) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL22774512 0.85 LMNA (0.47) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL3413087 0.85 MAPT (0.47) MEN1KMT2ALMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MEN1 1852/4885KMT2A 2755/4885LMNA 643/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MEN1 1873/4885KMT2A 2670/4885LMNA 635/4885

“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.