SCHEMBL13598768

SCHEMBL13598768

CN(C)c1cccc2c(S(=O)(=O)NCCCN=[N+]=[N-])cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ GBA1 P04062 3/20 0.53
▸ GLB1 P16278 3/20 0.53
▸ EDNRA P25101 1/20 0.51
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ FUCA1 P04066 1/20 0.50
▸ HTR1A P08908 3/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48

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
SCHEMBL13655537 0.93 HDAC4 (0.56) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4139459 0.86 HDAC4 (0.75) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4126957 0.86 HDAC4 (0.71) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL14645022 0.85 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4142506 0.85 HDAC4 (0.77) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL10002024 0.82 HDAC4 (0.67) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL23964395 0.81 HDAC4 (0.69) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL12502117 0.81 HDAC4 (0.65) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4782146 0.81 HDAC4 (0.69) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL29376225 0.81 HDAC4 (0.69) HDAC4HDAC10HDAC6HDAC5GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793027-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2019-11-13 — — EP disclosed
US-10188605-B2 Nanoparticles and nanoparticle compositions IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-01-29 — — US disclosed
EP-2770053-B1 In vivo incorporation of alkynyl amino acids into proteins in eubacteria SCRIPPS RESEARCH INST (US) 2018-02-21 — — EP disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 — — US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 — — US disclosed
US-20160271061-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2016-09-22 — — US disclosed
US-20160271061-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2016-09-22 — — US disclosed
US-9320713-B2 Nanoparticles and nanoparticle compositions IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2016-04-26 — — US disclosed
US-20080220472-A1 Orthogonal pairs of tRNAs and aminoacyl-tRNA synthetases incorporate para-propargyloxyphenylalanine into proteins produced in E. coli THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-11 — — US disclosed
US-20080176277-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 — — US disclosed
US-20080176277-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 — — US disclosed
US-20070166791-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 — — US disclosed
US-20070166791-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 — — US disclosed
US-20070154952-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-05 — — US disclosed
US-20070154952-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-05 — — US disclosed
US-20070060658-A1 STABILIZATION OF ORGANOGELS AND HYDROGELS BY AZIDE-ALKYNE [3+2] CYCLOADDITION THE SCRIPPS RESEARCH INSTITUTE 2007-03-15 — — US disclosed
US-20070060658-A1 STABILIZATION OF ORGANOGELS AND HYDROGELS BY AZIDE-ALKYNE [3+2] CYCLOADDITION THE SCRIPPS RESEARCH INSTITUTE 2007-03-15 — — US disclosed
WO-2007027493-A2 STABILIZATION OF ORGANOGELS AND HYDROGELS BY AZIDE-ALKYNE[2+3] CYCLOADDITION THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-08 — — 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 (3 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-20070154952-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 HDAC4 4142/4885HDAC10 2630/4885HDAC6 1775/4885
US-10188605-B2 Nanoparticles and nanoparticle compositions MCM6, MPI, MSH2 HDAC4 1982/4885HDAC10 3320/4885HDAC6 2261/4885
US-20160271061-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS MCM6, MPI, MSH2 HDAC4 1982/4885HDAC10 3320/4885HDAC6 2261/4885

“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.

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