SCHEMBL405678

SCHEMBL405678

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)C3CCCNC3)cc2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL1109493 0.92 F10 (0.45) ULK1ALOX15
SCHEMBL13818644 0.85 ULK1 (0.41) ULK1ALOX15KDM4EMEN1NPC1
SCHEMBL14196045 0.85 SCN3A (0.43)
SCHEMBL404419 0.85 SCN3A (0.43)
SCHEMBL404314 0.84 MEN1 (0.40) MEN1KMT2A
SCHEMBL403775 0.84 ALOX15 (0.42) ALOX15
SCHEMBL405300 0.84 ROCK2 (0.37)
SCHEMBL437072 0.83 ULK1 (0.41) ULK1
SCHEMBL14196048 0.83 ULK1 (0.41) ULK1
SCHEMBL404557 0.80 HDAC1 (0.45)

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 ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ULK1 2763/4885ALOX15 1300/4885KDM4E 4327/4885

“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.