SCHEMBL437693

SCHEMBL437693

NC[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CNCc3cccnc3)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HIF1A Q16665 4/20 0.43
EPAS1 Q99814 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ACACB O00763 1/20 0.42
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NAMPT P43490 1/20 0.40
HDAC1 Q13547 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL401392 0.97 HIF1A (0.47) HTTLMNANPSR1HIF1AEPAS1
SCHEMBL1109377 0.91 HTT (0.48) HTTLMNANPSR1MEN1KMT2A
SCHEMBL399429 0.90 KDM4E (0.47) HTTLMNAALDH1A1ACACBNAMPT
SCHEMBL405331 0.90 RECQL (0.44) LMNAALDH1A1MAPT
SCHEMBL403813 0.88 HIF1A (0.45) HTTLMNANPSR1HIF1AEPAS1
SCHEMBL405283 0.87 MAPK1 (0.43) NAMPT
SCHEMBL438062 0.86 KDM4E (0.48) HTTLMNAALDH1A1ACACBNAMPT
SCHEMBL462594 0.86 HTT (0.48) HTTLMNANPSR1HIF1AEPAS1
SCHEMBL404968 0.86 RECQL (0.46) ALDH1A1MAPT
SCHEMBL401041 0.85 CTSB (0.39) LMNAMEN1KMT2AALDH1A1MAPT

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 17 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-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

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 HTT 4781/4885LMNA 3397/4885NPSR1 2756/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885LMNA 3397/4885NPSR1 2756/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885LMNA 3397/4885NPSR1 2756/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885LMNA 3397/4885NPSR1 2756/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885LMNA 3397/4885NPSR1 2756/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HTT 4781/4885LMNA 3397/4885NPSR1 2756/4885

“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.