SCHEMBL1109560

SCHEMBL1109560

NCCNC(=O)c1cccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP14 P50281 3/20 0.48
TERT O14746 2/20 0.48
HPGDS O60760 2/20 0.46
ANPEP P15144 1/20 0.45
F10 P00742 2/20 0.44
PLG P00747 1/20 0.44
PROC P04070 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TDO2 P48775 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL14400806 0.92 CYP1A2 (0.50) MMP1MMP2MMP9MMP14TERT
SCHEMBL1109345 0.85 HPGDS (0.46) MMP1MMP2MMP9MMP14TERT
SCHEMBL405582 0.83 TERT (0.43) TERT
SCHEMBL1109400 0.83 CTSB (0.47) HPGDSANPEPCTSBCTSSCTSK
SCHEMBL1912269 0.82 HDAC1 (0.50) HPGDSF10HDAC1CTSLCTSB
SCHEMBL1109563 0.82 HPGDS (0.49) HPGDSHDAC1CTSLCTSBCTSS
SCHEMBL1109277 0.82 HPGDS (0.65) HPGDSANPEPHDAC1HDAC6
SCHEMBL401441 0.81 HPGDS (0.54) HPGDSHDAC8HDAC1HDAC6CTSB
SCHEMBL401005 0.81 HPGDS (0.54) HPGDSHDAC8HDAC1HDAC6CTSB
SCHEMBL1912117 0.81 ANPEP (0.48) HPGDSANPEPCTSLCTSBCTSS

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 MMP1 1000/4885MMP2 450/4885MMP9 1472/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MMP1 1000/4885MMP2 450/4885MMP9 1472/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP1 1000/4885MMP2 450/4885MMP9 1472/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP1 1000/4885MMP2 450/4885MMP9 1472/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP1 1000/4885MMP2 450/4885MMP9 1472/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MMP1 1000/4885MMP2 450/4885MMP9 1472/4885

“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.