SCHEMBL3411045

SCHEMBL3411045

Cc1cc(Oc2ccc(C(C)(C)C)cc2)nc(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.53
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.44
MAPK1 P28482 4/20 0.43
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL19510873 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL18153261 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL3410924 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL446237 0.80 MAPT (0.63) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL3407383 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL19510766 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL9151535 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL3409718 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL17608849 0.74 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL17608958 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTTCYP1A2

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 2956/4885MEN1 1852/4885KMT2A 2755/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ALDH1A1 2860/4885MEN1 1873/4885KMT2A 2670/4885

“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.