SCHEMBL2997223

SCHEMBL2997223

CCCCCc1ccc2cc(C=C3SC(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 7/20 0.35
DYRK3 O43781 2/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ENPP2 Q13822 2/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC1 Q13547 1/20 0.32
POLB P06746 1/20 0.32
CLK1 P49759 2/20 0.31
CLK2 P49760 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
NPC1 O15118 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
TNNC1 P63316 1/20 0.31
CSNK1E P49674 1/20 0.31
CLK3 P49761 1/20 0.31

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
SCHEMBL2997221 1.00 CISD1 (0.39) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2996637 0.90 CISD1 (0.40) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2996639 0.90 CISD1 (0.40) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2996292 0.83 ALOX5 (0.40) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2996287 0.83 ALOX5 (0.40) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2995792 0.83 DYRK3 (0.39) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2995795 0.83 DYRK3 (0.39) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL4585999 0.82 CISD1 (0.39) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2993913 0.82 CISD1 (0.39) CISD1ALOX5DYRK3MEN1KMT2A
SCHEMBL2993909 0.82 CISD1 (0.39) CISD1ALOX5DYRK3MEN1KMT2A

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 9 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
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US 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 4155/4885DYRK3 1471/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885ALOX5 2869/4885DYRK3 3748/4885

“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.