SCHEMBL3545113

SCHEMBL3545113

CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(N)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL3545622 0.83 CNR2 (0.34) PARP1CNR2SMN1; SMN2RORCHDAC1
SCHEMBL3207927 0.78 PARP1 (0.37) PARP1CNR2SMN1; SMN2RORC
SCHEMBL3548339 0.75 CNR2 (0.33) PARP1CNR2SMN1; SMN2RORC
SCHEMBL3208065 0.73 CNR2 (0.34) PARP1CNR2SMN1; SMN2
SCHEMBL3241618 0.72 MAPK14 (0.47)
SCHEMBL13223504 0.70 SMN1; SMN2 (0.38) PARP1CNR2SMN1; SMN2RORCHDAC1
SCHEMBL3209839 0.69 MAPK14 (0.44)
SCHEMBL3204374 0.68 CNR2 (0.38) PARP1CNR2SMN1; SMN2
SCHEMBL13495559 0.68 MAPK14 (0.54)
SCHEMBL3542369 0.68 HDAC1 (0.36) PARP1CNR2SMN1; SMN2RORCHDAC1

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
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 PARP1 2946/4885CNR2 3041/4885SMN1; SMN2 4535/4885

“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.