SCHEMBL4866368

SCHEMBL4866368

CC(=O)Sc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIA1 P42261 2/20 0.40
CACNG8 Q8WXS5 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KLK7 P49862 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
HTT P42858 1/20 0.38
XDH P47989 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6767865 0.77 MAPT (0.53) MAPTPKMKDM4EMAPK1GAA
SCHEMBL4865187 0.76 CA12 (0.54) MAPTPKMKDM4EMAPK1GAA
SCHEMBL6763628 0.73 GAA (0.44) MAPTPKMKDM4EGAAGRIA1
SCHEMBL14341653 0.71 HPGD (0.46) MAPTPKMMAPK1GAARAB9A
SCHEMBL6772885 0.70 SMN1; SMN2 (0.45) MAPTPKMKDM4EMAPK1GAA
SCHEMBL12322297 0.69 GAA (0.53) MAPTPKMKDM4EGAARAB9A
SCHEMBL29282031 0.69 AKR1C3 (0.38) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL6740302 0.68 MEN1 (0.69) MAPTPKMKDM4EMAPK1GAA
SCHEMBL6772737 0.68 GAA (0.56) MAPTPKMKDM4EMAPK1GAA
SCHEMBL6763763 0.67 GAA (0.54) MAPTPKMKDM4EGAARAB9A

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 MAPT 3850/4885PKM 4341/4885KDM4E 1553/4885

“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.