SCHEMBL2993528

SCHEMBL2993528

CCc1nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c(N2CCOCC2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ENPP2 Q13822 3/20 0.36
CISD1 Q9NZ45 1/20 0.35
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LCK P06239 2/20 0.33
TNK2 Q07912 1/20 0.33
HDAC1 Q13547 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ACHE P22303 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
SCHEMBL2993870 0.92 ENPP2 (0.43) MEN1KMT2AENPP2CISD1LCK
SCHEMBL2984473 0.85 CISD1 (0.40) MEN1KMT2AALDH1A1ENPP2CISD1
SCHEMBL2993018 0.85 CISD1 (0.39) MEN1KMT2AALDH1A1ENPP2CISD1
SCHEMBL4585835 0.84 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1ENPP2
SCHEMBL4585846 0.84 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1ENPP2
SCHEMBL2993654 0.84 CISD1 (0.38) MEN1KMT2AALDH1A1ENPP2CISD1
SCHEMBL5052448 0.81 MAPT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2993523 0.81 MAPT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2990678 0.81 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1ENPP2
Trifluoroacetic Acid SCHEMBL2988931 0.81 GBA1 (0.39) SMN1; SMN2ALDH1A1LMNAHTTMAPT

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 11 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
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 MEN1 3889/4885KMT2A 3294/4885SMN1; SMN2 2437/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MEN1 37/4885KMT2A 2272/4885SMN1; SMN2 113/4885

“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.