SCHEMBL461813

SCHEMBL461813

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL1094538 0.96 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GFERKMT2A
SCHEMBL1912120 0.92 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1GFERKMT2A
SCHEMBL402555 0.90
SCHEMBL405320 0.88 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL400416 0.88 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL404779 0.88 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL403580 0.88 ADORA2A (0.38)
SCHEMBL403051 0.87 MEN1 (0.51) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL405301 0.87 ADORA2A (0.40)
SCHEMBL402541 0.87 ADORA2A (0.40)

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 20 patents. 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-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 ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ALDH1A1 782/4885KDM4E 4327/4885MEN1 2414/4885

“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.