SCHEMBL4097560

SCHEMBL4097560

COc1cccc(CNC(=O)c2ccc(C(=O)NC(Cc3ccc(CN)cc3)C(=O)NCc3ccc(C)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.62
KLKB1 P03952 13/20 0.59
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
ATM Q13315 1/20 0.52
KLK1 P06870 2/20 0.51
ROCK2 O75116 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PRKACA P17612 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
PRKX P51817 1/20 0.51
PRKCQ Q04759 1/20 0.51
ROCK1 Q13464 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL4092961 0.90 MMP13 (0.63) MMP13ATMROCK2CYP3A4CYP2D6
SCHEMBL14485367 0.82 KLKB1 (0.72) KLKB1KLK1
SCHEMBL14486028 0.82 KLKB1 (0.78) KLKB1KLK1
SCHEMBL13940425 0.82 MMP13 (0.90) MMP13ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL21669910 0.81 KLKB1 (0.88) KLKB1KLK1
SCHEMBL14486005 0.81 KLKB1 (0.88) KLKB1KLK1
SCHEMBL14486026 0.79 KLKB1 (0.88) KLKB1KLK1
SCHEMBL5334260 0.78 MMP13 (0.85) MMP13ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14485480 0.77 KLKB1 (0.76) KLKB1CTSLCTSSKLK1
SCHEMBL20873686 0.76 KLKB1 (0.76) KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005419-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
EP-1859278-A1 METHOD FOR THE SCREENING OF COMPOUNDS THAT MODULATE THE INTERACTION BETWEEN MRNA AND PROTEINS AND COMPOUNDS OBTAINABLE THEREBY Novartis AG (CH) 2007-11-28 EP disclosed
WO-2006094688-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-09-14 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-20090005419-A1 Organic Compounds ELAVL1, RBM3, RRBP1 MMP13 4726/4885KLKB1 4436/4885CTSL 4130/4885

“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.