SCHEMBL3577953

SCHEMBL3577953

COc1ccc2c(c1)/C(=C\Nc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.48
BCL2A1 Q16548 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PTGIR P43119 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ACHE P22303 3/20 0.41
ACP1 P24666 2/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
CASP3 P42574 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3577954 1.00 LMNA (0.48) LMNAKMT2ABCL2A1CDK4CCND1
SCHEMBL13343906 1.00 LMNA (0.48) LMNAKMT2ABCL2A1CDK4CCND1
SCHEMBL3567526 0.93 KMT2A (0.46) LMNAKMT2ABCL2A1CDK4CCND1
SCHEMBL3567529 0.93 KMT2A (0.46) LMNAKMT2ABCL2A1CDK4CCND1
SCHEMBL3565041 0.93 LMNA (0.46) LMNAKMT2ACDK4CCND1SMN1; SMN2
SCHEMBL3565038 0.93 LMNA (0.46) LMNAKMT2ACDK4CCND1SMN1; SMN2
SCHEMBL3568154 0.90 CDK4 (0.47) LMNAKMT2ACDK4CCND1SMN1; SMN2
SCHEMBL3565395 0.90 CASP3 (0.46) LMNAKMT2ACDK4CCND1SMN1; SMN2
SCHEMBL3568157 0.90 CDK4 (0.47) LMNAKMT2ACDK4CCND1SMN1; SMN2
SCHEMBL3565392 0.90 CASP3 (0.46) LMNAKMT2ACDK4CCND1SMN1; 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 6 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 claimed
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 claimed
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 LMNA 2285/4885KMT2A 1053/4885BCL2A1 469/4885

“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.