SCHEMBL3574986

SCHEMBL3574986

CCOC(=O)c1ccc(Nc2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 7/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.44
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RET P07949 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL3574992 1.00 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3565548 0.89 HRH3 (0.43) ALDH1A1NPC1KMT2ALMNAHPGD
SCHEMBL3565551 0.89 HRH3 (0.43) ALDH1A1NPC1KMT2ALMNAHPGD
SCHEMBL3570999 0.87 CHEK1 (0.40) ALDH1A1RAB9AKMT2ALMNAHPGD
SCHEMBL3570993 0.87 CHEK1 (0.40) ALDH1A1RAB9AKMT2ALMNAHPGD
SCHEMBL3574577 0.87 APP (0.40) ALDH1A1KMT2ALMNAMAPK1MEN1
SCHEMBL3574573 0.87 APP (0.40) ALDH1A1KMT2ALMNAMAPK1MEN1
SCHEMBL3148039 0.86 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3148056 0.86 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3567529 0.85 KMT2A (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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 ALDH1A1 61/4885RAB9A 1293/4885NPC1 538/4885

“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.