SCHEMBL1509815

SCHEMBL1509815

O=C(CS)NC1CCC(NC(=O)CS)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
EPHX1 P07099 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 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
SCHEMBL2904383 1.00
SCHEMBL15485885 0.90 SMN1; SMN2 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5541177 0.89 MTNR1A (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4343150 0.88 EPHX1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10078379 0.88 EPHX1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10078376 0.88 EPHX1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10084509 0.88 EPHX1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15138162 0.81 EPHX2 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2240946 0.80
SCHEMBL9125633 0.78 ALDH1A1 (0.39) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US claimed
EP-1215205-B1 Tuned multifunctional linker molecules for electronic charge transport through organic-inorganic composite structures and use thereof SONY DEUTSCHLAND GMBH (DE) 2007-11-21 EP claimed
US-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2006-07-27 US claimed
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-29 US claimed
US-7030271-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY INTERNATIONAL (EUROPE) GMBH (DE) 2006-04-18 US claimed
US-20020127756-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
EP-1215205-A1 Tuned multifunctional linker molecules for electronic charge transport through organic-inorganic composite structures and use thereof Sony International (Europe) GmbH (DE) 2002-06-19 EP claimed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US disclosed
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US disclosed
US-8173842-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2012-05-08 US disclosed
US-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2006-07-27 US disclosed
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-29 US disclosed
US-20060113530-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2006-06-01 US disclosed
US-7030271-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY INTERNATIONAL (EUROPE) GMBH (DE) 2006-04-18 US disclosed
US-20020127756-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
EP-1215485-A1 Selective chemical sensors based on interlinked nanoparticle assemblies Sony International (Europe) GmbH (DE) 2002-06-19 EP disclosed
EP-1215205-A1 Tuned multifunctional linker molecules for electronic charge transport through organic-inorganic composite structures and use thereof Sony International (Europe) GmbH (DE) 2002-06-19 EP 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 (4 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-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites KCNC1, VDAC1, CALCOCO2 HDAC3 663/4885HDAC1 1067/4885HDAC2 1174/4885
US-20060138408-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, EXOC1, CLINT1 HDAC3 1847/4885HDAC1 1670/4885HDAC2 1818/4885
US-20060113530-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, CALCOCO2, KCNC1 HDAC3 1917/4885HDAC1 1852/4885HDAC2 1898/4885
US-20020127756-A1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof CORO1C, CACNG2, KCNC1 HDAC3 2004/4885HDAC1 2008/4885HDAC2 1662/4885

“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.