SCHEMBL2993523

SCHEMBL2993523

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
GAA P10253 6/20 0.51
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
MC4R P32245 2/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PTK2B Q14289 1/20 0.49
MAPK1 P28482 3/20 0.48
CLK1 P49759 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PKM P14618 1/20 0.48
MAPK10 P53779 1/20 0.47
TP53 P04637 2/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL5052448 1.00 MAPT (0.51) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2993867 0.92 MEN1 (0.58) MAPTGAAMEN1KMT2ALMNA
SCHEMBL5054187 0.92 MEN1 (0.58) MAPTGAAMEN1KMT2ALMNA
SCHEMBL4585835 0.89 MEN1 (0.47) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL4585846 0.89 MEN1 (0.47) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL4586095 0.86 MAPT (0.44) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2984471 0.86 MAPT (0.44) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL5049986 0.85 MAPT (0.45) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2993014 0.85 MAPT (0.45) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2993653 0.85 GAA (0.44) MAPTGAAMEN1KMT2ASMN1; SMN2

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 5 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

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 1880/4885GAA 244/4885MEN1 3889/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MAPT 721/4885GAA 139/4885MEN1 37/4885

“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.