SCHEMBL1109372

SCHEMBL1109372

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCCc3cccnc3)cc2)cc1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.48
ADRB3 P13945 5/20 0.48
ADRB2 P07550 4/20 0.48
HDAC1 Q13547 4/20 0.45
PTAFR P25105 4/20 0.45
NAMPT P43490 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL403813 0.92 HIF1A (0.45) ADRB1ADRB3ADRB2HDAC1NAMPT
SCHEMBL1109377 0.91 HTT (0.48) ADRB1ADRB3ADRB2HDAC1NAMPT
SCHEMBL1109465 0.89 HDAC2 (0.43) ADRB1ADRB3ADRB2HDAC1NAMPT
SCHEMBL1109480 0.89 HDAC1 (0.54) ADRB1ADRB3ADRB2HDAC1CTSB
SCHEMBL1109317 0.85 ADRB1 (0.47) ADRB1ADRB3ADRB2HDAC1PTAFR
SCHEMBL1109509 0.84 NAMPT (0.47) HDAC1NAMPTCTSLCTSBCTSS
SCHEMBL1109340 0.84 NAMPT (0.44) HDAC1NAMPTHDAC2USP30
SCHEMBL1109234 0.84 ANPEP (0.39) HDAC1HDAC2HTT
SCHEMBL1109166 0.84 MEN1 (0.45) ADRB1ADRB3ADRB2HDAC1NAMPT
SCHEMBL1912226 0.84 HDAC1 (0.48) HDAC1NAMPTHDAC2MEN1KMT2A

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 9 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-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-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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ADRB1 1968/4885ADRB3 3223/4885ADRB2 2728/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ADRB1 1968/4885ADRB3 3223/4885ADRB2 2728/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADRB1 1968/4885ADRB3 3223/4885ADRB2 2728/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADRB1 1968/4885ADRB3 3223/4885ADRB2 2728/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ADRB1 1968/4885ADRB3 3223/4885ADRB2 2728/4885

“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.