SCHEMBL1109218

SCHEMBL1109218

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccccn3)cc2)cc1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSK P43235 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
USP30 Q70CQ3 1/20 0.41
HDAC1 Q13547 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL403866 0.92 MEN1 (0.46) KMT2ALMNAMEN1POLBCTSK
SCHEMBL1912150 0.91 KMT2A (0.46) KMT2ALMNAMEN1POLBNPC1
SCHEMBL404955 0.90 MEN1 (0.44) KMT2ALMNAMEN1CTSKKDM4E
SCHEMBL10285938 0.85 RECQL (0.48) LMNAPOLBCTSKKDM4EALDH1A1
SCHEMBL1109189 0.85 NPC1 (0.46) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL1912259 0.84 MEN1 (0.49) KMT2ALMNAMEN1POLBNPC1
SCHEMBL1109455 0.84 KDM4E (0.51) LMNAPOLBCTSKKDM4ENAMPT
SCHEMBL1097171 0.83 KMT2A (0.44) KMT2ALMNAMEN1NAMPTALDH1A1
SCHEMBL1912203 0.83 MCHR1 (0.44) KMT2ALMNAMEN1POLBNPC1
SCHEMBL1109377 0.83 HTT (0.48) KMT2ALMNAMEN1NPC1RAB9A

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 11 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-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-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-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-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

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 4800/4885LMNA 3397/4885MEN1 2414/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885LMNA 3397/4885MEN1 2414/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885LMNA 3397/4885MEN1 2414/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885LMNA 3397/4885MEN1 2414/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885LMNA 3397/4885MEN1 2414/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KMT2A 4800/4885LMNA 3397/4885MEN1 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.