SCHEMBL1109280

SCHEMBL1109280

NC[C@H](NC(=O)c1ccc(-c2ccc(CN3CCC(N4CCCCC4)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MBTD1 Q05BQ5 1/20 0.52
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC8 Q9BY41 2/20 0.47
MCHR1 Q99705 4/20 0.47
ACVR1 Q04771 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC4 P56524 2/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 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
SCHEMBL400214 0.92 MBTD1 (0.49) L3MBTL3L3MBTL1MBTD1HDAC1HDAC6
SCHEMBL1195043 0.90 HDAC6 (0.59) HDAC1HDAC6HDAC8MCHR1HRH3
SCHEMBL10286676 0.90 HDAC6 (0.59) HDAC1HDAC6HDAC8MCHR1HRH3
SCHEMBL1109419 0.89 HDAC6 (0.60) HDAC1HDAC6HDAC8MCHR1HRH3
SCHEMBL1109307 0.84 MBTD1 (0.51) L3MBTL3L3MBTL1MBTD1HDAC1HDAC6
SCHEMBL1109435 0.83 MCHR1 (0.54) HDAC1HDAC6HDAC8MCHR1DRD2
SCHEMBL1109236 0.82 HDAC1 (0.53) HDAC1HDAC6HDAC8HRH3HDAC3
SCHEMBL1109521 0.82 HDAC6 (0.62) HDAC1HDAC6HDAC8MCHR1HDAC3
SCHEMBL10285921 0.81 DRD2 (0.57) MCHR1CYP2D6CHRM1HTR2ADRD2
SCHEMBL1912230 0.81 DRD2 (0.57) MCHR1CYP2D6CHRM1HTR2ADRD2

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 L3MBTL3 3609/4885L3MBTL1 2665/4885MBTD1 3881/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL3 3609/4885L3MBTL1 2665/4885MBTD1 3881/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL3 3609/4885L3MBTL1 2665/4885MBTD1 3881/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL3 3609/4885L3MBTL1 2665/4885MBTD1 3881/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL3 3609/4885L3MBTL1 2665/4885MBTD1 3881/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS L3MBTL3 3609/4885L3MBTL1 2665/4885MBTD1 3881/4885

“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.