SCHEMBL405405

SCHEMBL405405

COc1ccccc1CNCC(=O)Nc1ccc(C#CC#Cc2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 1/20 0.42
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL404661 0.97 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1109325 0.91 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13655009 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL401125 0.89
SCHEMBL400918 0.88 KDM4E (0.42) KMT2AMEN1KDM4ENAMPTHTT
SCHEMBL405410 0.87 HDAC1 (0.47) KMT2AHDAC1
SCHEMBL404237 0.87 DGAT1 (0.39) KMT2AMEN1HDAC1
SCHEMBL438351 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL402794 0.86 RECQL (0.43) ALDH1A1KDM4E
SCHEMBL2257221 0.85

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 KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885

“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.