SCHEMBL2996033

SCHEMBL2996033

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncc(CO)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.42
DYRK3 O43781 3/20 0.37
ENPP2 Q13822 4/20 0.34
CLK1 P49759 2/20 0.34
CLK3 P49761 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK2 Q92630 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CSNK1E P49674 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK4 Q9NR20 1/20 0.34
ALOX5 P09917 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 2/20 0.33
PRKCD Q05655 2/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL2996035 1.00 CISD1 (0.42) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL2993764 0.85 ALOX5 (0.41) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL2993762 0.85 ALOX5 (0.41) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL2996880 0.85 CISD1 (0.41) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL2996885 0.85 CISD1 (0.41) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL2995141 0.84 CISD1 (0.40) CISD1DYRK3CLK1CLK3GSK3B
SCHEMBL2995146 0.84 CISD1 (0.40) CISD1DYRK3CLK1CLK3GSK3B
SCHEMBL2990461 0.83 CISD1 (0.39) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL2990466 0.83 CISD1 (0.39) CISD1DYRK3ENPP2CLK1CLK3
SCHEMBL4157222 0.82 CISD1 (0.41) CISD1DYRK3ENPP2CLK1CLK3

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
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

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 3112/4885DYRK3 1471/4885ENPP2 954/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885DYRK3 3748/4885ENPP2 508/4885

“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.