SCHEMBL12190896

SCHEMBL12190896

O=C(NCCc1ccccc1)c1cncc(-c2ccc(O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.61
SCN10A Q9Y5Y9 3/20 0.61
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.56
HIF1A Q16665 2/20 0.53
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL12190843 0.85 RAB9A (0.56) SCN2ASCN10ARAB9ANPC1SMN1; SMN2
SCHEMBL9011235 0.85 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11711200 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12190973 0.81 NPC1 (0.68) SCN2ASCN10ARAB9ANPC1SMN1; SMN2
SCHEMBL28762643 0.80 CCNC (0.70) SCN2ASCN10A
SCHEMBL12191001 0.80 RAB9A (0.56) SCN2ASCN10ARAB9ANPC1SMN1; SMN2
SCHEMBL11770313 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2919151 0.79 HDAC2 (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12191114 0.79 DGAT2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12190884 0.78 CCNC (0.62) SCN2ASCN10ARAB9ANPC1SMN1; SMN2

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 1066/4885RAB9A 1444/4885

“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.