SCHEMBL5204312

SCHEMBL5204312

CC(=CC#N)Nc1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
IMPDH2 P12268 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN10A Q9Y5Y9 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
SCHEMBL8342694 1.00 HSD17B10 (0.54) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL5204300 1.00 HSD17B10 (0.54) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL8344308 0.82 MAPT (0.50) HSD17B10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5207660 0.82 MAPT (0.50) HSD17B10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5207657 0.82 MAPT (0.50) HSD17B10KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL27855264 0.80 MAPT (0.52) HSD17B10CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL13767805 0.80 MAPT (0.52) HSD17B10CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL10192084 0.79 TDP1 (0.48) CYP1A2KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2884961 0.78 L3MBTL1 (0.52) KMT2AMEN1RXFP1SMN1; SMN2MAPT
SCHEMBL2884963 0.78 L3MBTL1 (0.52) KMT2AMEN1RXFP1SMN1; SMN2MAPT

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 5 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
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

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 HSD17B10 1086/4885CYP1A2 1719/4885KMT2A 2664/4885

“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.