SCHEMBL3568614

SCHEMBL3568614

O=C1Cc2cc(N3CCCC3)ccc2C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 18/20 0.57
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
MAP3K14 Q99558 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 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
SCHEMBL9096425 0.82 GAA (0.55) MEN1KMT2APDE3BPDE3A
SCHEMBL9098720 0.81 GAA (0.57) MEN1KMT2APDE3BPDE3A
SCHEMBL3564193 0.79 TDP2 (0.56) TDP2CASP3CASP7CASP9CASP6
SCHEMBL25921790 0.77 HSD17B10 (0.51) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL29808870 0.75 HSD17B10 (0.50) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL22904228 0.74 TDP2 (0.49) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3651128 0.73 PARP10 (0.55) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL9918985 0.73 ALDH1A1 (0.64) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL22293733 0.73 TERT (0.48) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL15478788 0.73 ALDH1A1 (0.54) MEN1ALDH1A1MAPTALOX15KMT2A

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 TDP2 511/4885CASP3 1214/4885CASP7 1779/4885

“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.