SCHEMBL2984471

SCHEMBL2984471

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 1/20 0.43
CA2 P00918 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKB Q96GD4 3/20 0.42
AURKA O14965 2/20 0.42
CREBBP Q92793 1/20 0.42
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL4586095 1.00 MAPT (0.44) MAPTSMN1; SMN2THRBCA2CISD1
SCHEMBL5049986 0.93 MAPT (0.45) MAPTSMN1; SMN2THRBCA2CISD1
SCHEMBL2993014 0.93 MAPT (0.45) MAPTSMN1; SMN2THRBCA2CISD1
SCHEMBL5049846 0.90 GAA (0.44) MAPTSMN1; SMN2THRBCISD1KDM4E
SCHEMBL2993653 0.90 GAA (0.44) MAPTSMN1; SMN2THRBCISD1KDM4E
SCHEMBL4585695 0.87 CISD1 (0.41) MAPTCISD1KDM4EMEN1KMT2A
SCHEMBL4585691 0.87 CISD1 (0.41) MAPTCISD1KDM4EMEN1KMT2A
SCHEMBL2993867 0.86 MEN1 (0.58) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL5054187 0.86 MEN1 (0.58) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL5052448 0.86 MAPT (0.51) MAPTSMN1; SMN2KDM4EMEN1GAA

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 MAPT 1880/4885SMN1; SMN2 2437/4885THRB 3844/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MAPT 721/4885SMN1; SMN2 113/4885THRB 7/4885

“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.