SCHEMBL400342

SCHEMBL400342

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTPN11 Q06124 1/20 0.47
AURKB Q96GD4 3/20 0.45
EGFR P00533 2/20 0.45
RAF1 P04049 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAP2K1 Q02750 1/20 0.45
NAMPT P43490 2/20 0.43
CYP17A1 P05093 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.41
WDR5 P61964 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL8693590 0.92 CA1 (0.54) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL14679376 0.87 POLB (0.54) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL10845806 0.87 POLB (0.53) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL10850707 0.87 CA1 (0.50) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL937131 0.86 CA1 (0.59) CA1CA2HDAC3HDAC1PTPN11
SCHEMBL7491713 0.85 CA1 (0.49) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL10862149 0.85 EGFR (0.52) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL5864434 0.85 ALDH1A1 (0.53) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL16265415 0.85 EGFR (0.55) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL6635582 0.85 NPFFR1 (0.52) CA1CA2HDAC3HDAC1HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP 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
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
CN-1777577-A Antibacterial agent CHIRON CORP (US) 2006-05-24 CN disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO 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 (5 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-20140371291-A1 SERINE RACEMASE INHIBITOR SRR, PRSS1, ME1 CA1 4138/4885CA2 4421/4885HDAC3 4648/4885
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS CA1 4246/4885CA2 3457/4885HDAC3 2114/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 CA1 4400/4885CA2 2896/4885HDAC3 3347/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CA1 4310/4885CA2 3489/4885HDAC3 1758/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CA1 4246/4885CA2 3457/4885HDAC3 2114/4885

“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.