SCHEMBL3567526

SCHEMBL3567526

COc1ccc(Nc2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
ACP1 P24666 2/20 0.43
APP P05067 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.41
PTGIR P43119 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
CACNA1G O43497 2/20 0.39
ACHE P22303 1/20 0.38
BCL2A1 Q16548 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3567529 1.00 KMT2A (0.46) KMT2ALMNAACP1APPSMN1; SMN2
SCHEMBL3577954 0.93 LMNA (0.48) KMT2ALMNAACP1SMN1; SMN2NPC1
SCHEMBL13343906 0.93 LMNA (0.48) KMT2ALMNAACP1SMN1; SMN2NPC1
SCHEMBL3577953 0.93 LMNA (0.48) KMT2ALMNAACP1SMN1; SMN2NPC1
SCHEMBL3565392 0.92 CASP3 (0.46) KMT2ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL3565395 0.92 CASP3 (0.46) KMT2ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL3565041 0.91 LMNA (0.46) KMT2ALMNAACP1SMN1; SMN2NPC1
SCHEMBL3565038 0.91 LMNA (0.46) KMT2ALMNAACP1SMN1; SMN2NPC1
SCHEMBL3574577 0.90 APP (0.40) KMT2ALMNAAPPKDM4ECASP3
SCHEMBL3574573 0.90 APP (0.40) KMT2ALMNAAPPKDM4ECASP3

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 KMT2A 1053/4885LMNA 2285/4885ACP1 4672/4885

“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.