SCHEMBL436293

SCHEMBL436293

NC[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CNCC3CCCCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRM1 Q13255 1/20 0.39
NAMPT P43490 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
SCHEMBL398622 0.96 KDM4E (0.45) KDM4EALDH1A1MEN1GFERKMT2A
SCHEMBL1912143 0.90 KMT2A (0.47) KDM4EALDH1A1MEN1GFERKMT2A
SCHEMBL403987 0.88 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL400721 0.88 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL403577 0.87 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2A
SCHEMBL405300 0.86 ROCK2 (0.37) NAMPT
SCHEMBL404327 0.85 MEN1 (0.45) KDM4EALDH1A1MEN1KMT2A
SCHEMBL404045 0.85 MEN1 (0.42) MEN1KMT2A
SCHEMBL405143 0.85 TERT (0.39)
SCHEMBL1094538 0.85 ALDH1A1 (0.44) KDM4EALDH1A1MEN1GFERKMT2A

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 KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885

“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.