SCHEMBL12190839

SCHEMBL12190839

Cc1cc(-c2cncc(C(=O)NCc3ccncc3)c2)cc(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
GAA P10253 1/20 0.56
SCN2A Q99250 2/20 0.54
SCN10A Q9Y5Y9 2/20 0.54
KDM1A O60341 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MMP13 P45452 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 2/20 0.48
MMP2 P08253 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 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
SCHEMBL12190918 0.90 HDAC1 (0.69) HDAC1GAASCN2ASCN10AKDM1A
SCHEMBL12190916 0.86 HDAC1 (0.70) HDAC1GAASCN2ASCN10AKDM1A
SCHEMBL12190914 0.82 HDAC1 (0.56) HDAC1SCN2ASCN10AKDM1ACYP3A4
SCHEMBL12190919 0.81 SCN2A (0.56) HDAC1SCN2ASCN10AKDM1ALMNA
SCHEMBL12191068 0.80 L3MBTL1 (0.64) HDAC1GAASCN2ASCN10AKDM1A
SCHEMBL12190843 0.80 RAB9A (0.56) HDAC1SCN2ASCN10ASMN1; SMN2LMNA
SCHEMBL12190915 0.79 TDP1 (0.54) SCN2ASCN10ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL12191147 0.78 L3MBTL1 (0.68) HDAC1SCN2ASCN10AKDM1ASMN1; SMN2
SCHEMBL12190893 0.77 HDAC1 (0.78) HDAC1SCN2ASCN10AKDM1A
SCHEMBL12190995 0.76 KMT2A (0.57) HDAC1GAASCN2ASCN10AKDM1A

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 147/4885GAA 607/4885SCN2A 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.