SCHEMBL4988927

SCHEMBL4988927

COc1ncccc1-c1ccc([CH]C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
BTK Q06187 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
SQOR Q9Y6N5 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NAAA Q02083 1/20 0.40

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
SCHEMBL5239039 0.82 NR3C1 (0.43) MKNK1MKNK2ALOX5APFEN1FFAR4
SCHEMBL2042515 0.78 DHODH (0.58) DHODHMKNK1MKNK2HDAC3HDAC1
SCHEMBL29788287 0.78 DHODH (0.58) DHODHMKNK1MKNK2HDAC3HDAC1
SCHEMBL4970482 0.77 SQOR (0.45) HDAC1HDAC6FFAR4SQORKDM1A
SCHEMBL12864093 0.75 NPC1 (0.55) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL4056518 0.75 DHODH (0.54) DHODHCA1CA2LOXL2ALOX5AP
SCHEMBL29501236 0.74 BTK (0.50) DHODHCA1CA2LOXL2ALOX5AP
SCHEMBL13422264 0.74 DHODH (0.53) DHODHCA1CA2LOXL2ALOX5AP
SCHEMBL233226 0.74 DHODH (0.46) DHODHMKNK1MKNK2HDAC3HDAC1
SCHEMBL5236458 0.74 APP (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R DHODH 4494/4885MKNK1 3002/4885MKNK2 2850/4885

“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.