SCHEMBL3520746

SCHEMBL3520746

COCC(C)(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA14 Q9ULX7 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CA1 P00915 3/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.37
KDM4A O75164 1/20 0.37
DGAT1 O75907 1/20 0.36
CA7 P43166 1/20 0.36
NAMPT P43490 1/20 0.36
CTSK P43235 2/20 0.36
LATS1 O95835 1/20 0.36

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
SCHEMBL21065336 0.86 TDP1 (0.52) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3971674 0.83 TDP1 (0.43) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1696880 0.83 TDP1 (0.43) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13192990 0.81 MEN1 (0.44) TDP1MEN1GAAKMT2AMAOA
SCHEMBL25789921 0.80 TDP1 (0.41) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10049407 0.80 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL571043 0.80 TDP1 (0.52) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1964837 0.79 TDP1 (0.40) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22814733 0.79 MEN1 (0.41) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2623719 0.79 TDP1 (0.40) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 TDP1 1972/4885MEN1 2267/4885GAA 2463/4885

“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.