SCHEMBL12190882

SCHEMBL12190882

O=C(NCc1ccc(Cl)c(Cl)c1)c1cncc(-c2ccc(O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.62
SCN10A Q9Y5Y9 4/20 0.62
HDAC1 Q13547 6/20 0.56
KDM1A O60341 4/20 0.54
WDR5 P61964 3/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.48
EPHX2 P34913 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 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
SCHEMBL12191058 0.89 SCN10A (0.61) SCN2ASCN10AHDAC1KDM1AWDR5
SCHEMBL12190893 0.83 HDAC1 (0.78) SCN2ASCN10AHDAC1KDM1AMAOB
SCHEMBL9120814 0.82 HDAC4 (0.67) HDAC1MAOBLMNAEPHX2HDAC4
SCHEMBL12190960 0.82 HPGD (0.58) SCN2ASCN10ALMNA
SCHEMBL12190895 0.80 SCN2A (0.61) SCN2ASCN10AHDAC1KDM1AMAOB
SCHEMBL12190986 0.80 SCN2A (0.52) SCN2ASCN10AHDAC1KDM1AWDR5
SCHEMBL4564344 0.79 MAOB (0.58) HDAC1WDR5MAOBLMNAEPHX2
SCHEMBL12190870 0.79 WDR5 (0.60) SCN2ASCN10AHDAC1KDM1AWDR5
SCHEMBL14082553 0.79 WDR5 (0.64) HDAC1WDR5MAOBLMNAEPHX2
SCHEMBL12190886 0.78 HDAC1 (0.66) SCN2ASCN10AHDAC1KDM1AWDR5

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 SCN2A 1134/4885SCN10A 1066/4885HDAC1 147/4885

“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.