SCHEMBL1109166

SCHEMBL1109166

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCCc3ccc(F)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
USP30 Q70CQ3 2/20 0.42
PTPN1 P18031 2/20 0.42
MCHR1 Q99705 3/20 0.40
NAMPT P43490 2/20 0.40
ANPEP P15144 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL403967 0.92 MEN1 (0.43) MEN1KMT2AHDAC1HDAC2USP30
SCHEMBL1109480 0.90 HDAC1 (0.54) MEN1KMT2AHDAC1HDAC2ADRB2
SCHEMBL1109483 0.90 LMNA (0.45) MEN1KMT2AHDAC1HDAC2USP30
SCHEMBL1109340 0.89 NAMPT (0.44) HDAC1HDAC2USP30NAMPTANPEP
SCHEMBL1109465 0.89 HDAC2 (0.43) HDAC1HDAC2NAMPTADRB2ADRB1
SCHEMBL1109237 0.86 PTPN1 (0.47) HDAC1HDAC2USP30PTPN1ANPEP
SCHEMBL10286743 0.86 MEN1 (0.45) MEN1KMT2AHDAC1HDAC2USP30
SCHEMBL1109502 0.85 NAMPT (0.43) MEN1KMT2AHDAC1HDAC2USP30
SCHEMBL1109234 0.85 ANPEP (0.39) HDAC1HDAC2ANPEPNPC1ALDH1A1
SCHEMBL1912226 0.85 HDAC1 (0.48) MEN1KMT2AHDAC1HDAC2NAMPT

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 MEN1 2414/4885KMT2A 4800/4885HDAC1 824/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885HDAC1 824/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885HDAC1 824/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885HDAC1 824/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885HDAC1 824/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885HDAC1 824/4885

“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.