SCHEMBL3566381

SCHEMBL3566381

CN1C(=O)C(=CNc2ccccc2CN2CCCCC2)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APP P05067 4/20 0.39
ALDH1A1 P00352 3/20 0.38
CCR3 P51677 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CACNA1G O43497 2/20 0.36
TP53 P04637 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CASP3 P42574 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3566377 0.82 KDM4E (0.44) ALDH1A1HRH3
SCHEMBL3566379 0.82 KDM4E (0.44) ALDH1A1HRH3
SCHEMBL3565087 0.75 CASP3 (0.45) MEN1KMT2AAPPALDH1A1POLB
SCHEMBL3573831 0.72 DDB1 (0.40) DDB1CRBNKMT2AAPPALDH1A1
SCHEMBL3573832 0.72 DDB1 (0.40) DDB1CRBNKMT2AAPPALDH1A1
SCHEMBL3563637 0.70 APP (0.50) APPALDH1A1CASP3
SCHEMBL3563633 0.70 APP (0.50) APPALDH1A1CASP3
SCHEMBL3566867 0.70 CYP3A4 (0.44) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL28855144 0.68 ALDH1A1 (0.56) DDB1CRBNMEN1KMT2AAPP
SCHEMBL4443894 0.67 ALDH1A1 (0.53) DDB1CRBNMEN1KMT2AAPP

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 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
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 4711/4885MEN1 1015/4885

“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.