SCHEMBL3406476

SCHEMBL3406476

Cc1cc(OC2COC2)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
GRM5 P41594 8/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM2 Q14416 1/20 0.34
KMO O15229 1/20 0.34
JAK3 P52333 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20243525 0.83 GRM5 (0.40) GRM5KMT2AGRM2KMOJAK3
SCHEMBL24350030 0.83 JAK3 (0.35) GRM5KMOJAK3
SCHEMBL3408536 0.81 ALDH1A1 (0.45) ALDH1A1HTTGRM5KDM4ENPC1
SCHEMBL18005387 0.81 ALDH1A1 (0.45) ALDH1A1HTTGRM5KDM4ENPC1
SCHEMBL26478041 0.79 GRM5 (0.39) GRM5GRM2KMO
SCHEMBL20260103 0.73 GRM5 (0.51) GRM5
SCHEMBL2014472 0.72 KMO (0.40) GRM5KMO
SCHEMBL5075117 0.71 JAK3 (0.47) GRM5JAK3
SCHEMBL2131428 0.70 ALDH1A1 (0.70) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL23907998 0.70 KMT2A (0.44) ALDH1A1HTTGRM5KDM4EMEN1

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 ALDH1A1 2956/4885HTT 22/4885GRM5 4105/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ALDH1A1 2860/4885HTT 19/4885GRM5 4213/4885

“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.