SCHEMBL1885244

SCHEMBL1885244

CCCCCNNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 5/20 0.46
EPHX1 P07099 3/20 0.44
APLNR P35414 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 4/20 0.41
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL27647767 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL27807201 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL27807196 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL7192070 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL27919778 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL27938329 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL27842062 0.98 TDP1 (0.50) TDP1HDAC3HDAC1HDAC2EPHX1
SCHEMBL1620621 0.94 HDAC3 (0.46) TDP1HDAC3HDAC1HDAC2APLNR
SCHEMBL3252218 0.86 CA1 (0.43) TDP1HDAC3HDAC1HDAC2APLNR
SCHEMBL18756646 0.83 TDP1 (0.58) TDP1EPHX1APLNRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343294-A1 PHARMACEUTICAL COMPOUNDS KEMOTECH S.R.L. (IT) 2014-11-20 US disclosed
US-20140343294-A1 PHARMACEUTICAL COMPOUNDS KEMOTECH S.R.L. (IT) 2014-11-20 US disclosed
EP-2789619-A1 Pharmaceutical compounds wiht angiogenesis inbhibitory activity Kemotech S.r.l. (IT) 2014-10-15 EP disclosed
CN-103492370-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC 2014-01-01 CN disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
EP-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
WO-2006023843-A2 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 WO disclosed
US-5300492-A Suppressing levels of sex hormones in male or female mammals TAP PHARMACEUTICALS (US) 1994-04-05 US disclosed
US-5110904-A Luteinizing hormone releasing hormone; suppression of sex hormones ABBOTT LABORATORIES (US) 1992-05-05 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-20140343294-A1 PHARMACEUTICAL COMPOUNDS CYP3A43, CYP2D6, CYP2C9 TDP1 3972/4885HDAC3 533/4885HDAC1 1791/4885
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL TDP1 1771/4885HDAC3 1050/4885HDAC1 1110/4885

“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.