SCHEMBL3412170

SCHEMBL3412170

CCOC(=O)/C(=C/N(C)C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.54
CYP11B2 P19099 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL3565354 1.00 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2FNTAFNTB
SCHEMBL3412173 1.00 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2FNTAFNTB
SCHEMBL18017493 0.88 DHODH (0.50) CYP11B1CYP11B2SMN1; SMN2FNTAFNTB
SCHEMBL184027 0.88 DHODH (0.50) CYP11B1CYP11B2SMN1; SMN2FNTAFNTB
SCHEMBL184026 0.88 DHODH (0.50) CYP11B1CYP11B2SMN1; SMN2FNTAFNTB
SCHEMBL3405438 0.86 MEN1 (0.40) CYP11B1CYP11B2FNTAFNTBALDH1A1
SCHEMBL3405440 0.86 MEN1 (0.40) CYP11B1CYP11B2FNTAFNTBALDH1A1
SCHEMBL29254517 0.86 MAPT (0.56) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL11388473 0.86 MAPT (0.56) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL1965188 0.85 MAPT (0.56) SMN1; SMN2FNTAFNTBALDH1A1MEN1

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 6 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

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 CYP11B1 2133/4885CYP11B2 2188/4885SMN1; SMN2 1705/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB CYP11B1 2006/4885CYP11B2 2053/4885SMN1; SMN2 1510/4885

“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.