SCHEMBL2128698

SCHEMBL2128698

CCCCCNC(=O)c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC2 Q92769 1/20 0.68
RAB9A P51151 2/20 0.67
EPHX2 P34913 3/20 0.66
NAAA Q02083 2/20 0.66
KMT2A Q03164 5/20 0.64
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
MEN1 O00255 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
THRB P10828 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
NAMPT P43490 1/20 0.60
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL11248504 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL2868723 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL9763677 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL11083072 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL2356495 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL25330125 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL5694314 0.98 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
Bromide SCHEMBL9028287 0.97 NAAA (0.67) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL29708225 0.95 HDAC3 (0.74) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL3241002 0.95 HDAC3 (0.74) HDAC3HDAC1HDAC2RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731934-B2 HDAC inhibitor compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-08-22 US disclosed
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 US disclosed
US-20200087338-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS INC (US) 2020-03-19 US disclosed
WO-2017136943-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2017-08-17 WO disclosed
US-20170174619-A1 HDAC INHIBITOR COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-06-22 US disclosed
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-20160060287-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US disclosed
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 WO disclosed
US-8076303-B2 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. (US) 2011-12-13 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-20070149462-A1 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. 2007-06-28 US disclosed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 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 (9 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-20200087338-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT HDAC3 2571/4885HDAC1 2609/4885HDAC2 3314/4885
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 HDAC3 209/4885HDAC1 624/4885HDAC2 411/4885
US-20170174619-A1 HDAC INHIBITOR COMPOUNDS AND METHODS OF TREATMENT HDAC4, HDAC1, HDAC5 HDAC3 4/4885HDAC1 2/4885HDAC2 5/4885
US-20070149462-A1 Nucleotide and oligonucleotide prodrugs TYMP, PNP, DUT HDAC3 2571/4885HDAC1 2609/4885HDAC2 3314/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 HDAC3 209/4885HDAC1 624/4885HDAC2 411/4885
US-11731934-B2 HDAC inhibitor compounds and methods of treatment HDAC4, HDAC1, HDAC5 HDAC3 4/4885HDAC1 2/4885HDAC2 5/4885
US-20160060287-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT HDAC3 2571/4885HDAC1 2609/4885HDAC2 3314/4885
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 HDAC3 1803/4885HDAC1 2556/4885HDAC2 2791/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 HDAC3 209/4885HDAC1 624/4885HDAC2 411/4885

“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.