SCHEMBL4244735

SCHEMBL4244735

COC(=O)c1ccc2[nH]c(CC(C)C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.44
RHEB Q15382 1/20 0.43
XDH P47989 1/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 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
SCHEMBL5029722 0.90 KDM4E (0.57) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL22533987 0.85 SMN1; SMN2 (0.55) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6093891 0.84 SMN1; SMN2 (0.57) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL4246402 0.84 SMN1; SMN2 (0.54) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL2039522 0.84 KDM4E (0.60) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL15294555 0.83 SMN1; SMN2 (0.53) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL8906504 0.83 L3MBTL1 (0.54) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL3737238 0.83 SMN1; SMN2 (0.53) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL23280119 0.81 ALDH1A1 (0.47) MAPTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL8632161 0.81 MAPT (0.55) MAPTSMN1; SMN2MAPK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MAPT 1769/4885SMN1; SMN2 2249/4885MAPK1 1623/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAPT 2228/4885SMN1; SMN2 2523/4885MAPK1 1490/4885

“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.