SCHEMBL405261

SCHEMBL405261

NC[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 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
SCHEMBL403476 0.96 GFER (0.40) GFERALDH1A1MAPTHDAC1MEN1
SCHEMBL402890 0.90 HDAC1 (0.39) HDAC1
SCHEMBL1109238 0.90 HDAC1 (0.41) ALDH1A1MAPTHDAC1MEN1KMT2A
SCHEMBL406023 0.89 HDAC1 (0.48) ALDH1A1MAPTHDAC1MEN1KMT2A
SCHEMBL402961 0.87 ANPEP (0.40) MAPTHDAC1
SCHEMBL403055 0.86 HDAC1 (0.40) HDAC1
SCHEMBL403674 0.85 ALDH1A1 (0.41) GFERALDH1A1MAPTMEN1KMT2A
SCHEMBL401321 0.85 HDAC1 (0.50) ALDH1A1MAPTHDAC1MEN1KMT2A
SCHEMBL405770 0.85 HDAC1 (0.43) HDAC1
SCHEMBL405283 0.84 MAPK1 (0.43)

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 GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS GFER 1803/4885ALDH1A1 782/4885MAPT 4619/4885

“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.