SCHEMBL1712359

SCHEMBL1712359

C=CCOCC(=O)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.51
RAB9A P51151 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
P4HB P07237 1/20 0.37
GAA P10253 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
SCHEMBL1712196 0.79 GSK3B (0.48) GSK3BRAB9AALDH1A1MAPTL3MBTL1
SCHEMBL1711929 0.79 NPC1 (0.47) RAB9ACA1CA2ALDH1A1MAPT
SCHEMBL1712729 0.78 TDP1 (0.47) GSK3BRAB9AALDH1A1MAPTTDP1
SCHEMBL6230747 0.78 SNCA (0.54) GSK3BCA1CA2ALDH1A1MAPT
SCHEMBL1968295 0.76 HDAC3 (0.53) GSK3BRAB9AALDH1A1MAPTKMT2A
4-Cyanophenol SCHEMBL8772622 0.75 CA12 (0.59) GSK3BCA2ALDH1A1P4HB
SCHEMBL320736 0.75 GSK3B (0.59) GSK3BRAB9ACA1CA2ALDH1A1
SCHEMBL27269021 0.75 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL10562829 0.73 ALDH1A1 (0.55) RAB9AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL28083744 0.72 GSK3B (0.66) GSK3BRAB9ACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344460-B1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS INC (US) 2015-08-12 EP disclosed
US-8383608-B2 Imidazolidine compounds as androgen receptor modulators DART THERAPEUTICS LLC 2013-02-26 US disclosed
US-20120178718-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS, INC. 2012-07-12 US disclosed
EP-2344460-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Galapagos N.V. (BE) 2011-07-20 EP disclosed
US-7968581-B2 Imidazolidine compounds as androgen receptor modulators GALAPAGOS NV (BE) 2011-06-28 US disclosed
US-20100113547-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS, INC. 2010-05-06 US disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 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 (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-20120178718-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, GNRHR GSK3B 2141/4885RAB9A 1006/4885CA1 4697/4885
US-20100113547-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, GNRHR GSK3B 2317/4885RAB9A 1328/4885CA1 4495/4885

“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.