SCHEMBL3406322

SCHEMBL3406322

CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
GABRA2 P47869 7/20 0.54
GABRB2 P47870 7/20 0.54
TARBP2 Q15633 1/20 0.50
MAPT P10636 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL3408549 0.86 ALDH1A1 (0.52) ALPLALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL17595047 0.82 GABRA2 (0.59) ALPLALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1200252 0.78 GABRA2 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDGABRA2
SCHEMBL19194799 0.78 GABRA2 (0.54) ALPLALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL16506416 0.77 JMJD6 (0.55) KDM4ECYP1A2KMT2ANPC1RAB9A
SCHEMBL3408569 0.77 KMO (0.71) ALPLALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL917429 0.77 CYP1A2 (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDGABRA2
SCHEMBL16506338 0.77 CYP1A2 (0.51) ALDH1A1SMN1; SMN2KDM4EGABRA2GABRB2
SCHEMBL30925061 0.77 ADORA3 (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDGABRA2
SCHEMBL29214363 0.77 ADORA3 (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDGABRA2

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 ALPL 3711/4885ALDH1A1 2956/4885SMN1; SMN2 1705/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ALPL 3602/4885ALDH1A1 2860/4885SMN1; 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.