SCHEMBL1040435

SCHEMBL1040435

Cc1cn(-c2ccc([N+](=O)[O-])cc2OC(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.46
PSEN2 P49810 7/20 0.46
APH1B Q8WW43 7/20 0.46
NCSTN Q92542 7/20 0.46
APH1A Q96BI3 7/20 0.46
PSENEN Q9NZ42 7/20 0.46
CYP19A1 P11511 2/20 0.45
TLR2 O60603 2/20 0.42
TLR1 Q15399 2/20 0.42
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 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
SCHEMBL512865 0.86 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16914028 0.82 TLR2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616767 0.80 ALDH1A1 (0.49) TLR2TLR1LMNAKMT2AL3MBTL1
SCHEMBL8475128 0.79 ALDH1A1 (0.50) TLR2TLR1LMNAKMT2AALDH1A1
SCHEMBL10914480 0.79 CYP19A1 (0.51) CYP19A1LMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL8034073 0.78 TLR2 (0.49) TLR2TLR1ALDH1A1HTT
SCHEMBL1038671 0.78 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617550 0.78 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616714 0.78 ALDH1A1 (0.47) TLR2TLR1LMNAKMT2AALDH1A1
SCHEMBL16914219 0.78 TLR2 (0.44) TLR2TLR1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910740-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-03-22 US disclosed
EP-2155740-B1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-01-26 EP disclosed
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080280948-A1 MODULATORS OF AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-13 US 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-20080280948-A1 MODULATORS OF AMYLOID BETA APP, BACE1, BACE2 PSEN1 7/4885PSEN2 13/4885APH1B 8/4885

“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.