SCHEMBL13343333

SCHEMBL13343333

CC(C)Cc1ccc2c(c1)NC(=O)CN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
PARP1 P09874 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
XDH P47989 1/20 0.34
ABL1 P00519 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL8201000 0.82 PARP1 (0.54) MAPTTP53RAF1BRAFSMYD3
SCHEMBL19710474 0.78 TP53 (0.39) TP53RAF1BRAFSMYD3CYP11B1
SCHEMBL20008485 0.77 GABRA1 (0.47) MEN1POLBMAPTKMT2ATP53
SCHEMBL24806246 0.77 GABRA1 (0.47) MEN1POLBMAPTKMT2ATP53
SCHEMBL19492401 0.76 GABRA1 (0.43) MEN1POLBMAPTKMT2ATP53
SCHEMBL19346233 0.76 GABRA1 (0.43) MEN1POLBMAPTKMT2ATP53
SCHEMBL12570130 0.76 AHR (0.51) SMYD3
SCHEMBL19772847 0.76 AHR (0.51) MEN1POLBMAPTKMT2ASMYD3
SCHEMBL31526666 0.76 HPGD (0.42) MEN1MAPTKMT2ATP53RAF1
SCHEMBL19300243 0.76 PARP1 (0.54) MAPTTP53RAF1BRAFSMYD3

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
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MEN1 2377/4885POLB 430/4885MAPT 4248/4885

“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.