Sugi Predict

Sugi Predict / Compounds / SCHEMBL2990600

SCHEMBL2990600

SCHEMBL2990600

CN(C)c1ccc2cc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.39
▸ ALOX5 P09917 9/20 0.38
▸ POLB P06746 1/20 0.37
▸ DYRK3 O43781 3/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ENPP2 Q13822 1/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ IDE P14735 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL2990603 1.00 CISD1 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2995162 0.88 CISD1 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2995154 0.88 CISD1 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2996287 0.88 ALOX5 (0.40) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2996292 0.88 ALOX5 (0.40) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2995795 0.88 DYRK3 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2995792 0.88 DYRK3 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL4585999 0.87 CISD1 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2993913 0.87 CISD1 (0.39) CISD1ALOX5POLBDYRK3MEN1
SCHEMBL2993909 0.87 CISD1 (0.39) CISD1ALOX5POLBDYRK3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 — — US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 — — EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 — — EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 — — EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 — — WO 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 3112/4885ALOX5 4155/4885POLB 3047/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885ALOX5 2869/4885POLB 991/4885

“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.