SCHEMBL2654974

SCHEMBL2654974

C=CC(=O)N(C)CCC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.56
ZDHHC20 Q5W0Z9 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ALDH1A1 P00352 13/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3255350 0.80 ALDH1A1 (0.38) CASP1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL2654972 0.80 CASP1 (0.56) CASP1ALDH1A1MAPTHPGDHTT
SCHEMBL3405331 0.79
SCHEMBL2478566 0.79 ZDHHC20 (0.50) CASP1ZDHHC20ZDHHC2ALDH1A1MAPT
SCHEMBL1864608 0.77 ZDHHC20 (0.53) CASP1ZDHHC20ZDHHC2ALDH1A1HPGD
SCHEMBL6631976 0.77
SCHEMBL16776767 0.76 ZDHHC20 (0.42) CASP1ZDHHC20ZDHHC2ALDH1A1HPGD
SCHEMBL14341773 0.76 ZDHHC20 (0.38) CASP1ZDHHC20ZDHHC2ALDH1A1HPGD
SCHEMBL27402656 0.76 ZDHHC20 (0.41) CASP1ZDHHC20ZDHHC2ALDH1A1HPGD
SCHEMBL21846296 0.74 CASP1 (0.58) CASP1ALDH1A1MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023090304-A1 POLYMER, ELASTOMER, PRODUCTION METHOD THEREFOR, ACTUATOR, AND SENSOR 大阪有機化学工業株式会社 2023-05-25 WO disclosed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-7670737-B2 UV absorbing hole blocking layer containing photoconductors XEROX CORPORATION (US) 2010-03-02 US disclosed
US-20090035674-A1 UV ABSORBING HOLE BLOCKING LAYER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-02-05 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO disclosed
US-6605270-B1 Removing iron from patient by orally administering therapeutically effective amount of polymer characterized by specified repeat unit, or heteropolymer thereof GENZYME CORPORATION 2003-08-12 US disclosed
EP-0699072-B1 USE OF IRON-BINDING POLYMERS FOR THE MANUFACTURE OF A MEDICAMENT FOR ORAL ADMINISTRATION GELTEX PHARMA INC (US) 2003-04-23 EP disclosed
US-5702696-A FOR TREATMENT OF IRON OVERLOAD DISORDERS GELTEX PHARMACEUTICALS (US) 1997-12-30 US disclosed
US-5487888-A Iron-binding polymers for oral administration GELTEX, INC. (US) 1996-01-30 US disclosed
WO-1994027621-A1 IRON-BINDING POLYMERS FOR ORAL ADMINISTRATION GELTEX, INC. (US) 1994-12-08 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 CASP1 3020/4885ZDHHC20 2812/4885ZDHHC2 2950/4885

“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.