SCHEMBL10162869

SCHEMBL10162869

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cccc(OC(C)(F)F)c4)n4nccc4n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
GLS O94925 9/20 0.40
KCNN3 Q9UGI6 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
IDO1 P14902 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ATM Q13315 1/20 0.38
ROCK1 Q13464 1/20 0.38
RIPK1 Q13546 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10162868 0.94 KCNN3 (0.37) KCNN3LMNATP53RXFP1MAPK1
SCHEMBL10162859 0.90 LMNA (0.39) KCNN3LMNATP53IDO1RXFP1
SCHEMBL10162871 0.89 ALDH1A1 (0.40) KCNN3LMNATP53ATMMAPK1
SCHEMBL8225378 0.88 KCNN3 (0.43) ROCK2KCNN3LMNAMAPK1
SCHEMBL10163496 0.88 ADAMTS4 (0.43) ROCK2GLSLMNATP53IDO1
SCHEMBL8229567 0.88 ROCK2 (0.42) ROCK2GLSTP53IDO1ROCK1
SCHEMBL10163587 0.87 MMP13 (0.37) LMNATP53RXFP1
SCHEMBL10162873 0.87 TP53 (0.44) LMNATP53
SCHEMBL10162848 0.86 POLB (0.48) KCNN3LMNATP53RXFP1
SCHEMBL8226340 0.86 MMP13 (0.37) LMNATP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885GLS 1120/4885KCNN3 2625/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ROCK2 1967/4885GLS 1120/4885KCNN3 2625/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885GLS 1120/4885KCNN3 2625/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885GLS 1120/4885KCNN3 2625/4885

“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.