SCHEMBL3570801

SCHEMBL3570801

O=C1NC(=O)c2ccccc2/C1=C/Nc1cccc(CN2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
ACP1 P24666 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PSD A5PKW4 1/20 0.38
ACHE P22303 2/20 0.38
FAAH O00519 2/20 0.37

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
SCHEMBL3570806 1.00 DDB1 (0.47) DDB1CRBNCDK5CDK5R1SMN1; SMN2
SCHEMBL3562315 1.00 DDB1 (0.47) DDB1CRBNCDK5CDK5R1SMN1; SMN2
SCHEMBL3562319 1.00 DDB1 (0.47) DDB1CRBNCDK5CDK5R1SMN1; SMN2
SCHEMBL3573551 0.99 DDB1 (0.46) DDB1CRBNCDK5CDK5R1SMN1; SMN2
SCHEMBL3573548 0.99 DDB1 (0.46) DDB1CRBNCDK5CDK5R1SMN1; SMN2
SCHEMBL3566707 0.88 HRH3 (0.41) DDB1CRBNSMN1; SMN2PSD
SCHEMBL3566710 0.88 HRH3 (0.41) DDB1CRBNSMN1; SMN2PSD
SCHEMBL3563832 0.88 PSD (0.42) SMN1; SMN2ALDH1A1CYP2D6KDM4EGAA
SCHEMBL3570771 0.88 PSD (0.42) SMN1; SMN2ALDH1A1CYP2D6KDM4EGAA
SCHEMBL3570773 0.88 PSD (0.42) SMN1; SMN2ALDH1A1CYP2D6KDM4EGAA

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 10 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
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 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
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 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
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-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

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 DDB1 133/4885CRBN 4711/4885CDK5 2095/4885

“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.