SCHEMBL4586473

SCHEMBL4586473

C=Cc1ccc2ncc(C(=O)OCC)c(Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPK10 P53779 1/20 0.51
MAPT P10636 7/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
NMT1 P30419 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL4594354 0.89 MEN1 (0.50) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL1367417 0.84 MEN1 (0.65) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL1467189 0.84 MAPK1 (0.63) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL27720570 0.83 MAPT (0.54) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL401916 0.81 MAPK1 (0.65) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL30900720 0.81 NMT2 (0.60) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL538191 0.81 NMT2 (0.60) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL620724 0.81 MAPT (0.61) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL3881231 0.81 MEN1 (0.53) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL4585804 0.81 CDC7 (0.45) MEN1KMT2AMAPK10MAPTGAA

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 3294/4885MAPK10 860/4885

“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.