SCHEMBL1109136

SCHEMBL1109136

CN(C)CCNCC(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
AGTR1 P30556 1/20 0.39
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HDAC1 Q13547 2/20 0.39
MCHR1 Q99705 1/20 0.38
UTS2R Q9UKP6 9/20 0.38
GAA P10253 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL1109469 0.93 HDAC1 (0.41) HDAC1UTS2RGAAHDAC2
SCHEMBL400365 0.91
SCHEMBL405844 0.90
SCHEMBL1109176 0.89 GAA (0.45) MEN1KMT2APOLBCTDSP1HDAC1
SCHEMBL1109234 0.88 ANPEP (0.39) POLBCTDSP1HDAC1GAAHDAC2
SCHEMBL1109137 0.87 KDM4E (0.47) MEN1KMT2APOLBCTDSP1HDAC1
SCHEMBL1109246 0.87 GAA (0.55) POLBCTDSP1HDAC1GAAHDAC2
SCHEMBL1109148 0.86 TERT (0.43) MEN1KMT2APOLBCTDSP1HDAC1
SCHEMBL1109253 0.86 HDAC1 (0.53) POLBCTDSP1HDAC1GAAHDAC2
SCHEMBL1109300 0.86 POLB (0.41) MEN1KMT2APOLBCTDSP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885APAF1 1723/4885AGTR1 1118/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885APAF1 1723/4885AGTR1 1118/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885APAF1 1723/4885AGTR1 1118/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885APAF1 1723/4885AGTR1 1118/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885APAF1 1723/4885AGTR1 1118/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEN1 2414/4885APAF1 1723/4885AGTR1 1118/4885

“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.