SCHEMBL3206271

SCHEMBL3206271

CC1(C)C(=O)NCCN1C(=O)c1nn(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PARP1 P09874 1/20 0.32
ACACB O00763 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3204374 0.82 CNR2 (0.38) CNR2SMN1; SMN2PARP1ACACB
SCHEMBL3548339 0.73 CNR2 (0.33) CNR2SMN1; SMN2PARP1
SCHEMBL18048258 0.71 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL3209466 0.71 L3MBTL1 (0.43) ALDH1A1L3MBTL1
SCHEMBL13223504 0.66 SMN1; SMN2 (0.38) CNR2SMN1; SMN2PARP1
SCHEMBL16598705 0.63 F2RL1 (0.43) CNR2SMN1; SMN2PARP1
SCHEMBL13495539 0.63 ACACB (0.30) ACACB
SCHEMBL17162718 0.63 SMN1; SMN2 (0.39) ALDH1A1CNR2SMN1; SMN2PARP1
SCHEMBL1632308 0.63 SMN1; SMN2 (0.39) ALDH1A1CNR2SMN1; SMN2PARP1
SCHEMBL16614728 0.61 F2RL1 (0.52) ALDH1A1CNR2SMN1; SMN2PARP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 ALDH1A1 3577/4885CNR2 4569/4885SMN1; SMN2 4267/4885

“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.