Sugi Predict

Sugi Predict / Compounds / SCHEMBL3562950

SCHEMBL3562950

SCHEMBL3562950

Cc1cccc(Nc2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HTT P42858 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
SCHEMBL3562952 1.00 KDM4E (0.39) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3574573 0.92 APP (0.40) KDM4EALDH1A1HRH3CDK4CCND1
SCHEMBL3574577 0.92 APP (0.40) KDM4EALDH1A1HRH3CDK4CCND1
SCHEMBL3567788 0.91 CDK4 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2HRH3
SCHEMBL3567794 0.91 CDK4 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2HRH3
SCHEMBL3572926 0.89 CDK4 (0.38) KDM4EALDH1A1RAB9ACDK4CCND1
SCHEMBL3574372 0.89 ALDH1A1 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2CDK4
SCHEMBL3574367 0.89 ALDH1A1 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2CDK4
SCHEMBL3572930 0.89 CDK4 (0.38) KDM4EALDH1A1RAB9ACDK4CCND1
SCHEMBL3565392 0.89 CASP3 (0.46) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2

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 KDM4E 2158/4885ALDH1A1 61/4885MAPT 4095/4885

“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.