SCHEMBL400307

SCHEMBL400307

COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)[C@@H](C)O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13018959 1.00 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13654204 1.00 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13245461 0.93 KMT2A (0.54) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL18712225 0.91 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL1109094 0.91 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL14400805 0.91 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13244623 0.91 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL3013552 0.91 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13244735 0.90 KMT2A (0.53) KMT2AMAPK1SMN1; SMN2TSHRHIF1A
SCHEMBL13244561 0.90 KMT2A (0.48) KMT2AMAPK1SMN1; SMN2TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US 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-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-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-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-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 (6 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 4800/4885MAPK1 1831/4885SMN1; SMN2 2296/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MAPK1 1831/4885SMN1; SMN2 2296/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MAPK1 1831/4885SMN1; SMN2 2296/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885MAPK1 1831/4885SMN1; SMN2 2296/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MAPK1 1831/4885SMN1; SMN2 2296/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885MAPK1 1831/4885SMN1; SMN2 2296/4885

“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.