SCHEMBL6703053

SCHEMBL6703053

CC(C)(C)NC(=O)c1cc(-c2cccc(C#N)c2)cc(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.43
PTPN5 P54829 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KAT6A Q92794 1/20 0.39
GRM5 P41594 1/20 0.39
CSNK1E P49674 2/20 0.39
CSNK1D P48730 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
KCNA5 P22460 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ADAMTS4 O75173 1/20 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
SCHEMBL6703029 0.83 MAOA (0.39) ANO1MAOAMAOB
SCHEMBL6704193 0.82 NPC1 (0.47) MAOAMAOB
SCHEMBL6703548 0.81 NPC1 (0.46) MAOAMAOB
SCHEMBL6988241 0.81 PGR (0.41) PGRPTPN5XDHSLC22A12EGLN1
SCHEMBL6700660 0.77 MAOA (0.46) ANO1MAOAMAOB
SCHEMBL6703223 0.75 ALDH1A1 (0.40) PGRANO1MAOAMAOB
SCHEMBL13701651 0.72 ANO1 (0.58) KAT6AGRM5ANO1
SCHEMBL6705267 0.68 MAPT (0.40) MAOAMAOB
SCHEMBL2154026 0.66 CLK4 (0.65) PGRPTPN5XDHSLC22A12MAOB
SCHEMBL12867819 0.65 MAOA (0.44) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MORPHOCHEM AG (DE) 2004-05-27 US 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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MAP3K20, MAP3K21, MAP3K1 PGR 675/4885PTPN5 794/4885XDH 1420/4885

“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.