SCHEMBL3567074

SCHEMBL3567074

CN(C)C=C1C(=O)NCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 3/20 0.44
LMNA P02545 1/20 0.42
HSD17B10 Q99714 4/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
TYRO3 Q06418 1/20 0.41
NTRK2 Q16620 1/20 0.41
ALOX15 P16050 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3567070 1.00 CA12 (0.59) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL13343613 0.79 CA12 (0.58) CA12CA9SMN1; SMN2MAPTHTT
SCHEMBL3568043 0.78 PARP10 (0.45) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL14472640 0.78 SMN1; SMN2 (0.39) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL3569255 0.78 PARP10 (0.45) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL3577712 0.78 PARP10 (0.45) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL3569257 0.78 PARP10 (0.45) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL3577715 0.78 PARP10 (0.45) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL4788188 0.78 PARP10 (0.45) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL7126540 0.76 KDM4E (0.60) SMN1; SMN2ALDH1A1MAPTHTTHIF1A

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 CA12 3285/4885CA9 2053/4885SMN1; SMN2 3642/4885

“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.