SCHEMBL3407808

SCHEMBL3407808

O=C(CC(=O)C(F)(F)F)c1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.58
PLOD3 O60568 2/20 0.56
PLOD1 Q02809 2/20 0.56
DGAT1 O75907 2/20 0.49
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
NOTUM Q6P988 1/20 0.45
MAPT P10636 1/20 0.44
HDAC4 P56524 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.41
ELOVL6 Q9H5J4 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL3500932 0.82 KDM4E (0.50) DGAT1TP53KDM4EALDH1A1MAPK1
SCHEMBL24254064 0.79 KDM4E (0.50) DGAT1TP53KDM4EALDH1A1MAPK1
SCHEMBL20646989 0.79 KDM4E (0.50) TP53KDM4EALDH1A1MAPK1NOTUM
Bromide SCHEMBL8310882 0.78 KDM4E (0.49) DGAT1TP53KDM4EALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL29356405 0.77 DGAT1 (0.47) DGAT1TP53KDM4EALDH1A1MAPK1
SCHEMBL7412453 0.77 NR4A2 (0.51) DGAT1TP53KDM4EALDH1A1MAPK1
SCHEMBL17303476 0.76 NOTUM (0.58) DGAT1TP53KDM4EALDH1A1MAPK1
SCHEMBL3431061 0.76 PLOD2 (0.59) PLOD2PLOD3PLOD1MAPTLMNA
SCHEMBL1364657 0.76 AOC2 (0.58) DGAT1TP53KDM4EALDH1A1MAPK1
SCHEMBL24253972 0.75 KDM4E (0.46) DGAT1TP53KDM4EALDH1A1MAPK1

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 PLOD2 912/4885PLOD3 527/4885PLOD1 1173/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PLOD2 873/4885PLOD3 514/4885PLOD1 1104/4885

“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.