SCHEMBL403987

SCHEMBL403987

NC[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CNC3CCCCCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 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
SCHEMBL400721 1.00 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL403577 0.99 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL404327 0.97 MEN1 (0.45) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL402117 0.96 MEN1 (0.51) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1095747 0.96 MEN1 (0.51) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL404613 0.96 MEN1 (0.51) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL404133 0.95 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL404045 0.95 MEN1 (0.42) MEN1KMT2A
SCHEMBL399447 0.94 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL403946 0.92 MEN1 (0.43) MEN1KMT2A

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 22 patents — showing the first 20. 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-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-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-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-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 2414/4885KMT2A 4800/4885GAA 79/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885GAA 79/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885GAA 79/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885GAA 79/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885GAA 79/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885GAA 79/4885

“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.