SCHEMBL2127728

SCHEMBL2127728

CCCNC(=O)CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
DNM1 Q05193 2/20 0.46
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
EPHX1 P07099 1/20 0.40
CASP2 P42575 1/20 0.39
CNR1 P21554 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13970681 0.86 DNM1 (0.55) DNM1MMP2MEN1KMT2AEPHX1
SCHEMBL26838432 0.86 MCL1 (0.48) MCL1DNM1MMP1MMP2MMP3
SCHEMBL1827225 0.83 MEN1 (0.54) DNM1MEN1KMT2ATSHREPHX1
SCHEMBL8741153 0.83 MEN1 (0.48) DNM1MEN1KMT2ATSHRCASP2
SCHEMBL31620138 0.83 CASP2 (0.62) DNM1MEN1KMT2AEPHX1CASP2
SCHEMBL29312927 0.83 CASP2 (0.62) DNM1MEN1KMT2AEPHX1CASP2
SCHEMBL5353889 0.83 CASP2 (0.62) DNM1MEN1KMT2AEPHX1CASP2
SCHEMBL18871729 0.83 CASP2 (0.62) DNM1MEN1KMT2AEPHX1CASP2
SCHEMBL18402599 0.83 CASP2 (0.62) DNM1MEN1KMT2AEPHX1CASP2
SCHEMBL31620140 0.83 CASP2 (0.62) DNM1MEN1KMT2AEPHX1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250513-A1 13-MEMBERED MACROLIDE COMPOUNDS FOR TREATING DISEASES MEDIATED BY ABNORMAL PROTEIN TRANSLATION ZIKANI THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
US-9802178-B2 Carrier for blood component adsorption and blood component adsorption column TORAY INDUSTRIES, INC. (JP) 2017-10-31 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
WO-2012085176-A1 TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 WO disclosed
EP-2215148-B1 ORGANOPOLYSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, THE PRODUCTION AND USE THEREOF WACKER CHEMIE AG (DE) 2012-04-25 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20100243944-A1 ORGANOPOLYSILOXANES CONTAINING QUATERNARY AMMONIUM GROUPS, THE PRODUCTION AND USE THEREOF WACKER CHEMIE AG (DE) 2010-09-30 US disclosed
WO-2010013086-A1 PHOSPHORYLATED DENDRIMERS AS ANTIINFLAMMATORY DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-02-04 WO disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-4246151-A COMPOSITION COMPRISING THE REACTION PRODUCT OF AN EPOXIDIZED ADDITION POLYMER WITH AN AMINE, PLUS A PARTIALLY OR FULLY BLOCKED POLYISOCYANATE AKZO N.V. (NL) 1981-01-20 US 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-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD MCL1 1952/4885DNM1 1231/4885MMP1 589/4885

“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.