Sugi Predict

Sugi Predict / Compounds / SCHEMBL3565548

SCHEMBL3565548

SCHEMBL3565548

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ RET P07949 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP2 P42575 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL3565551 1.00 HRH3 (0.43) HRH3KMT2AKDM4EALDH1A1LMNA
SCHEMBL3570835 0.92 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1LMNARET
SCHEMBL3570829 0.92 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1LMNARET
SCHEMBL3570999 0.91 CHEK1 (0.40) KMT2AKDM4EALDH1A1LMNARET
SCHEMBL3570993 0.91 CHEK1 (0.40) KMT2AKDM4EALDH1A1LMNARET
SCHEMBL3574992 0.89 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1LMNARET
SCHEMBL3574986 0.89 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1LMNARET
SCHEMBL3574573 0.89 APP (0.40) HRH3KMT2AKDM4EALDH1A1LMNA
SCHEMBL3574577 0.89 APP (0.40) HRH3KMT2AKDM4EALDH1A1LMNA
SCHEMBL3567794 0.88 CDK4 (0.46) HRH3KMT2AKDM4EALDH1A1LMNA

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 HRH3 1650/4885KMT2A 1053/4885KDM4E 2158/4885

“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.