SCHEMBL3404202

SCHEMBL3404202

CN(C)C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
KMO O15229 1/20 0.44
CASP1 P29466 1/20 0.43
SCN9A Q15858 3/20 0.43
RAD51 Q06609 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LIPE Q05469 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HDAC4 P56524 1/20 0.38
KLRK1 P26718 3/20 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
SCHEMBL3410771 0.96 ADORA3 (0.43) ADORA3KMOCASP1SCN9ARAD51
SCHEMBL3408828 0.83 KMO (0.62) ADORA3KMOCASP1KDM4EALDH1A1
Dimethylformamide SCHEMBL27799820 0.83 KMO (0.52) ADORA3KMOCASP1SCN9AKDM4E
SCHEMBL29020161 0.82 KMO (0.61) ADORA3KMOCASP1KDM4EALDH1A1
Potassium SCHEMBL29961608 0.82 KMO (0.61) ADORA3KMOCASP1KDM4EALDH1A1
SCHEMBL18002850 0.82 MAPT (0.48) ADORA3KMOCASP1SCN9AKDM4E
Potassium Ion SCHEMBL29020190 0.81 KMO (0.46) ADORA3KMOCASP1SCN9ARAD51
SCHEMBL3408549 0.79 ALDH1A1 (0.52) ADORA3CASP1NPC1RAB9AKDM4E
SCHEMBL21001319 0.77 CFTR (0.46) ADORA3KMOCASP1SCN9A
SCHEMBL3561445 0.74 ALDH1A1 (0.47) ADORA3CASP1SCN9ARAD51NPC1

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 ADORA3 2457/4885KMO 4286/4885CASP1 2237/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ADORA3 2598/4885KMO 4246/4885CASP1 2122/4885

“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.