SCHEMBL2992616

SCHEMBL2992616

COc1ccc2cc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CISD1 Q9NZ45 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
DYRK3 O43781 1/20 0.36
POLB P06746 2/20 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
SCHEMBL2992614 1.00 ALOX5 (0.44) ALOX5MEN1KMT2ACISD1L3MBTL1
SCHEMBL2996287 0.87 ALOX5 (0.40) ALOX5MEN1KMT2ACISD1ALDH1A1
SCHEMBL2996292 0.87 ALOX5 (0.40) ALOX5MEN1KMT2ACISD1ALDH1A1
SCHEMBL2995795 0.87 DYRK3 (0.39) ALOX5MEN1KMT2ACISD1DYRK3
SCHEMBL2995792 0.87 DYRK3 (0.39) ALOX5MEN1KMT2ACISD1DYRK3
SCHEMBL2998823 0.87 MEN1 (0.41) ALOX5MEN1KMT2ACISD1L3MBTL1
SCHEMBL2998818 0.87 MEN1 (0.41) ALOX5MEN1KMT2ACISD1L3MBTL1
SCHEMBL4586253 0.87 MEN1 (0.41) ALOX5MEN1KMT2ACISD1L3MBTL1
SCHEMBL2993909 0.86 CISD1 (0.39) ALOX5MEN1KMT2ACISD1DYRK3
SCHEMBL2993913 0.86 CISD1 (0.39) ALOX5MEN1KMT2ACISD1DYRK3

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 ALOX5 4155/4885MEN1 3889/4885KMT2A 3294/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ALOX5 2869/4885MEN1 37/4885KMT2A 2272/4885

“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.