SCHEMBL5205813

SCHEMBL5205813

COCCN(C)C(=O)CC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
XBP1 P17861 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 1/20 0.54
ALOX12 P18054 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
HTT P42858 3/20 0.52
DCUN1D1 Q96GG9 1/20 0.52
TRPV4 Q9HBA0 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL1603669 0.79 SMN1; SMN2 (0.74) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL5142590 0.78 MAPT (0.77) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL31236338 0.78 MAPT (0.77) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL5201404 0.78 SMN1; SMN2 (0.61) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL14955215 0.76 TP53 (0.67) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL30212894 0.76 SMN1; SMN2 (0.69) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL9429509 0.76 SMN1; SMN2 (0.69) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL333191 0.75 SMN1; SMN2 (0.65) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL5142344 0.75 SMN1; SMN2 (0.69) SMN1; SMN2GAAMAPTMEN1XBP1
SCHEMBL5142604 0.75 TP53 (0.58) SMN1; SMN2GAAMAPTMEN1XBP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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 (1 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 SMN1; SMN2 4108/4885GAA 2947/4885MAPT 4727/4885

“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.