Sugi Predict

Sugi Predict / Compounds / SCHEMBL4963182

SCHEMBL4963182

SCHEMBL4963182

O=C1CCCC1c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.55
▸ CRBN Q96SW2 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GFER P55789 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ ADRA2A P08913 1/20 0.36

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
SCHEMBL30853687 0.95 ALDH1A1 (0.60) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL1616968 0.95 ALDH1A1 (0.60) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL30853698 0.95 ALDH1A1 (0.60) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL29711760 0.93 ALDH1A1 (0.59) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL29742353 0.93 ALDH1A1 (0.59) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL4129452 0.93 ALDH1A1 (0.59) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL29742364 0.93 ALDH1A1 (0.59) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL9877946 0.83 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL3664235 0.81 ALDH1A1 (0.44) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL11033988 0.78 ALDH1A1 (0.56) DDB1CRBNALDH1A1KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 — — EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 — — US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 — — WO disclosed
US-6733905-B2 SUCH AS BIS(1-(2-PYRIDYL)CYCLOPENTENE-N,C2)(ACETYLACETNONATO) IRIDIDIUM(III); ELECTROLUMINESCENCE/PHOSPHORESCENCE; EFFICIENCY; LOW EXCITATION STATE CANON KABUSHIKI KAISHA (JP) 2004-05-11 — — US disclosed
US-20020094453-A1 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2002-07-18 — — 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 (2 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-20020094453-A1 Metal coordination compound, luminescence device and display apparatus ICOSLG, CCRL2, ZC3HAV1L DDB1 3581/4885CRBN 339/4885ALDH1A1 2102/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 DDB1 1909/4885CRBN 3001/4885ALDH1A1 3975/4885

“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.