SCHEMBL4585835

SCHEMBL4585835

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncc(C(=O)O)c(N3CCOCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
MELK Q14680 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MC4R P32245 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTK2B Q14289 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
MAPK1 P28482 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL4585846 1.00 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4586124 0.91 ENPP2 (0.45) MEN1KMT2AALDH1A1MELKENPP2
Trifluoroacetic Acid SCHEMBL2986094 0.90 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL2986098 0.90 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL2993523 0.89 MAPT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL5052448 0.89 MAPT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL2993528 0.84 MEN1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4585691 0.84 CISD1 (0.41) MEN1KMT2AMAPTPOLBENPP2
SCHEMBL4585695 0.84 CISD1 (0.41) MEN1KMT2AMAPTPOLBENPP2
SCHEMBL4585167 0.84 CSF1R (0.51) MEN1KMT2AALDH1A1MELKENPP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.