SCHEMBL3408549

SCHEMBL3408549

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 7/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
MLYCD O95822 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL18002850 0.86 MAPT (0.48) ALDH1A1L3MBTL1KDM4EMAPTHPGD
SCHEMBL3406322 0.86 ALPL (0.56) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3408828 0.80 KMO (0.62) ALDH1A1L3MBTL1KDM4EMAPTKMT2A
SCHEMBL29020161 0.79 KMO (0.61) ALDH1A1KDM4EMAPTPOLBTP53
Potassium SCHEMBL29961608 0.79 KMO (0.61) ALDH1A1KDM4EMAPTPOLBTP53
SCHEMBL3404202 0.79 ADORA3 (0.45) ALDH1A1KDM4EMAPTHPGDADORA3
SCHEMBL22940135 0.79 CYP1A2 (0.59) ALDH1A1L3MBTL1KDM4EMAPTKMT2A
Potassium Ion SCHEMBL29020190 0.78 KMO (0.46) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL25136323 0.78 CYP1A2 (0.45) ALDH1A1L3MBTL1KDM4EMAPTKMT2A
SCHEMBL21001319 0.76 CFTR (0.46) ADORA3CASP1

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 2956/4885L3MBTL1 228/4885KDM4E 4071/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ALDH1A1 2860/4885L3MBTL1 185/4885KDM4E 4078/4885

“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.