SCHEMBL3566828

SCHEMBL3566828

Nc1cccc(CN2CCCCCC2)c1

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.66
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 1/20 0.57
HIF1A Q16665 1/20 0.57
HRH3 Q9Y5N1 4/20 0.55
CYP2C19 P33261 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MBTD1 Q05BQ5 1/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH4 Q9H3N8 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
SCHEMBL923368 1.00 PRMT6 (0.66) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL30469295 0.98 PRMT6 (0.68) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL833409 0.98 PRMT6 (0.68) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL13242846 0.94 PRMT6 (0.62) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL16760957 0.90 SIGMAR1 (0.56) PRMT6ALDH1A1SMN1; SMN2TDP1SIGMAR1
SCHEMBL11339852 0.86 PRMT6 (0.78) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL11192726 0.86 PRMT6 (0.78) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL22538106 0.84 CHKA (0.63) PRMT6KDM4EHRH3SIGMAR1
SCHEMBL8879213 0.82 SIGMAR1 (0.62) PRMT6ALDH1A1TDP1CYP2C9HIF1A
SCHEMBL264786 0.82 NCF1 (0.71) PRMT6ALDH1A1SMN1; SMN2KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
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
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
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
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
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 PRMT6 3630/4885ALDH1A1 61/4885SMN1; 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.