SCHEMBL461586

SCHEMBL461586

Cc1ccc(CN(C)CC(=O)Nc2ccc(C#Cc3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL405140 0.92 LTA4H (0.45) POLBMEN1KMT2AALDH1A1LTA4H
SCHEMBL402479 0.92 LTA4H (0.46) POLBALDH1A1LTA4HACHE
SCHEMBL1109505 0.92 KMT2A (0.47) POLBMEN1LMNAKMT2AHDAC1
SCHEMBL405307 0.87 ALDH1A1 (0.37) ALDH1A1
SCHEMBL403835 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL460940 0.86 MAPT (0.42) MAPT
SCHEMBL405117 0.86 POLB (0.46) POLBMEN1LMNAKMT2AHDAC1
SCHEMBL404937 0.85 LMNA (0.47) POLBMEN1LMNAKMT2AALDH1A1
SCHEMBL400026 0.85 ALDH1A1 (0.41) ALDH1A1LTA4H
SCHEMBL404444 0.85 CTSB (0.36)

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-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-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-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-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-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 (7 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 POLB 640/4885MEN1 2414/4885LMNA 3397/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS POLB 640/4885MEN1 2414/4885LMNA 3397/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS POLB 640/4885MEN1 2414/4885LMNA 3397/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS POLB 640/4885MEN1 2414/4885LMNA 3397/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS POLB 640/4885MEN1 2414/4885LMNA 3397/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS POLB 640/4885MEN1 2414/4885LMNA 3397/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS POLB 640/4885MEN1 2414/4885LMNA 3397/4885

“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.