SCHEMBL10022376

SCHEMBL10022376

CC(C)c1cccc(CN2CCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
GRIA2 P42262 1/20 0.49
LMNA P02545 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
PIK3CD O00329 1/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ERBB2 P04626 1/20 0.44
NTRK1 P04629 1/20 0.44
PRKCG P05129 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL14094189 0.88 L3MBTL1 (0.50) L3MBTL1GRIA2LMNADNMT3BPIK3CD
SCHEMBL27462970 0.87 L3MBTL1 (0.49) L3MBTL1GRIA2LMNADNMT3BPIK3CD
SCHEMBL24713153 0.82 L3MBTL1 (0.59) L3MBTL1GRIA2PIK3CDKMT2AMAPK1
SCHEMBL8327744 0.81 KMT2A (0.61) L3MBTL1GRIA2CDC7PLK4AURKA
SCHEMBL13181473 0.81 L3MBTL1 (0.58) L3MBTL1GRIA2LMNADNMT3BCDC7
SCHEMBL12919993 0.79 L3MBTL1 (0.64) L3MBTL1GRIA2PIK3CDHRH3ACACB
SCHEMBL13533215 0.79 L3MBTL1 (0.60) L3MBTL1GRIA2LMNADNMT3BPIK3CD
SCHEMBL18627041 0.78 LMNA (0.40) LMNAKMT2AMEN1POLB
SCHEMBL13533214 0.78 L3MBTL1 (0.62) L3MBTL1GRIA2LMNADNMT3BPIK3CD
SCHEMBL15516474 0.78 L3MBTL1 (0.58) L3MBTL1GRIA2LMNACDC7PLK4

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-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA L3MBTL1 4323/4885GRIA2 2318/4885LMNA 1872/4885

“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.