SCHEMBL440373

SCHEMBL440373

C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2cccc([N+](=O)[O-])c2)cc1)C(=O)NO

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSP90AA1 P07900 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
S1PR2 O95136 1/20 0.45
OPRK1 P41145 1/20 0.45
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL404589 0.96 S1PR2 (0.46) HTTALDH1A1HSP90AA1MAPTNPSR1
SCHEMBL404588 0.96 S1PR2 (0.46) HTTALDH1A1HSP90AA1MAPTNPSR1
SCHEMBL1105523 0.96 S1PR2 (0.46) HTTALDH1A1HSP90AA1MAPTNPSR1
SCHEMBL20299877 0.85 NPC1 (0.46) SMN1; SMN2
SCHEMBL402315 0.85 NPC1 (0.46) SMN1; SMN2
SCHEMBL405122 0.84
SCHEMBL154873 0.84
SCHEMBL404258 0.84
SCHEMBL13654209 0.84
SCHEMBL405804 0.84

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
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-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 HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HTT 4781/4885ALDH1A1 782/4885HSP90AA1 797/4885

“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.