SCHEMBL12190886

SCHEMBL12190886

COc1cc(CNC(=O)c2cncc(-c3ccc(O)cc3)c2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.66
KDM1A O60341 3/20 0.66
SCN2A Q99250 3/20 0.55
SCN10A Q9Y5Y9 3/20 0.55
ROCK2 O75116 2/20 0.53
PRKACA P17612 2/20 0.53
PRKX P51817 2/20 0.53
PRKCQ Q04759 2/20 0.53
ROCK1 Q13464 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MAOB P27338 1/20 0.53
AURKA O14965 1/20 0.51
DGAT2 Q96PD7 1/20 0.48
GRK5 P34947 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL12191107 0.85 AURKA (0.64) HDAC1KDM1ASCN2ASCN10AROCK2
SCHEMBL12190914 0.85 HDAC1 (0.56) HDAC1KDM1ASCN2ASCN10AROCK2
SCHEMBL12190893 0.82 HDAC1 (0.78) HDAC1KDM1ASCN2ASCN10AMAOB
SCHEMBL12190967 0.82 KDM1A (0.56) HDAC1KDM1AROCK2ROCK1AURKA
SCHEMBL14640454 0.79 HDAC1 (0.78) HDAC1KDM1ASCN2ASCN10ANPC1
SCHEMBL12190882 0.78 SCN2A (0.62) HDAC1KDM1ASCN2ASCN10AMAOB
SCHEMBL12190916 0.77 HDAC1 (0.70) HDAC1KDM1ASCN2ASCN10AROCK2
SCHEMBL12190895 0.77 SCN2A (0.61) HDAC1KDM1ASCN2ASCN10AROCK2
SCHEMBL12191097 0.76 KDM1A (0.49) HDAC1KDM1ASCN2ASCN10AROCK2
SCHEMBL12191046 0.76 HDAC1 (0.71) HDAC1KDM1ASCN2ASCN10AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK HDAC1 147/4885KDM1A 1739/4885SCN2A 1134/4885

“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.