SCHEMBL398622

SCHEMBL398622

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MAPK14 Q16539 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
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRM1 Q13255 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
SCHEMBL436293 0.96 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1GFER
SCHEMBL1912143 0.92 KMT2A (0.47) KDM4EALDH1A1KMT2AMEN1GFER
SCHEMBL405300 0.90 ROCK2 (0.37) NAMPT
SCHEMBL1095747 0.88 MEN1 (0.51) KDM4EALDH1A1KMT2AMEN1
SCHEMBL402117 0.88 MEN1 (0.51) KDM4EALDH1A1KMT2AMEN1
SCHEMBL404613 0.88 MEN1 (0.51) KDM4EALDH1A1KMT2AMEN1
SCHEMBL400449 0.88 ADORA2A (0.39)
SCHEMBL404133 0.87 MEN1 (0.49) KDM4EALDH1A1KMT2AMEN1
SCHEMBL399447 0.85 MEN1 (0.47) KDM4EALDH1A1KMT2AMEN1
SCHEMBL403946 0.85 MEN1 (0.43) KMT2AMEN1

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 21 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-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-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 782/4885KMT2A 4800/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885KMT2A 4800/4885

“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.