SCHEMBL442497

SCHEMBL442497

CC(C)(C)OC(=O)NCC(=N)NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 4/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 4/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.37
DGAT1 O75907 1/20 0.36
CA7 P43166 2/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL12635692 0.85 TDP1 (0.44) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL17696576 0.83 TDP1 (0.43) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL6195253 0.81 TDP1 (0.50) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL18618701 0.80 TDP1 (0.47) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL3677388 0.80 TDP1 (0.47) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL6193192 0.79 TDP1 (0.56) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL1394865 0.78 MAOA (0.51) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL13977596 0.78 TDP1 (0.46) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL292627 0.78 TDP1 (0.48) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL4714065 0.77 TDP1 (0.52) TDP1MAOAMAOBKMT2AMEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428528-B2 Phenicol antibacterials ZOETIS SERVICES LLC (US) 2016-08-30 US disclosed
US-20160194342-A1 PHENICOL ANTIBACTERIALS ZOETIS SERVICES LLC (US) 2016-07-07 US disclosed
US-9340564-B2 Phenicol antibacterials ZOETIS SERVICES LLC (US) 2016-05-17 US disclosed
US-20150266910-A1 PHENICOL ANTIBACTERIALS ZOETIS SERVICES LLC (US) 2015-09-24 US disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9073894-B2 Phenicol antibacterials ZOETIS SERVICES LLC (US) 2015-07-07 US disclosed
EP-2822934-A1 PHENICOL ANTIBACTERIALS Zoetis LLC (US) 2015-01-14 EP disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO disclosed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
EP-1838706-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2007-10-03 EP disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2006067532-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LTD (GB) 2006-06-29 WO disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 WO disclosed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 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 (5 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR TDP1 1579/4885MAOA 944/4885MAOB 1358/4885
US-20160194342-A1 PHENICOL ANTIBACTERIALS MRPL21, TTL, CTSL TDP1 3526/4885MAOA 2460/4885MAOB 2960/4885
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 TDP1 2675/4885MAOA 377/4885MAOB 419/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 TDP1 2438/4885MAOA 4538/4885MAOB 2263/4885
US-20150266910-A1 PHENICOL ANTIBACTERIALS MRPL21, TTL, CTSL TDP1 3526/4885MAOA 2460/4885MAOB 2960/4885

“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.