SCHEMBL1109465

SCHEMBL1109465

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCCc3ccncc3)cc2)cc1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 2/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
ROCK1 Q13464 3/20 0.41
RPS6KA5 O75582 2/20 0.41
AKT1 P31749 2/20 0.41
GSK3B P49841 2/20 0.41
NEK4 P51957 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKG2 Q13237 2/20 0.41
PRKG1 Q13976 2/20 0.41
PKN2 Q16513 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ROCK2 O75116 2/20 0.41
MAPK13 O15264 1/20 0.41
DYRK3 O43781 1/20 0.41

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
SCHEMBL402752 0.92 HDAC2 (0.41) HDAC2HDAC1ADRB1ADRB3HDAC6
SCHEMBL1109480 0.90 HDAC1 (0.54) HDAC2HDAC1ADRB2ADRB1ADRB3
SCHEMBL1109455 0.90 KDM4E (0.51) HDAC1HDAC6ROCK1RPS6KA5AKT1
SCHEMBL1109372 0.89 ADRB1 (0.48) HDAC2HDAC1ADRB2ADRB1ADRB3
SCHEMBL1109166 0.89 MEN1 (0.45) HDAC2HDAC1ADRB2ADRB1ADRB3
SCHEMBL1912224 0.85 POLB (0.45) HDAC1HDAC6ROCK1RPS6KA5AKT1
SCHEMBL1109234 0.85 ANPEP (0.39) HDAC2HDAC1KDM4EALDH1A1POLB
SCHEMBL1912226 0.85 HDAC1 (0.48) HDAC2HDAC1HDAC6HDAC8NAMPT
SCHEMBL1912150 0.84 KMT2A (0.46) HDAC2HDAC1KDM4EALDH1A1NAMPT
SCHEMBL1109176 0.84 GAA (0.45) HDAC2HDAC1HDAC6HDAC8KDM4E

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 10 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-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 (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 HDAC2 2776/4885HDAC1 824/4885ADRB2 2728/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885HDAC1 824/4885ADRB2 2728/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC2 2776/4885HDAC1 824/4885ADRB2 2728/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC2 2776/4885HDAC1 824/4885ADRB2 2728/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC2 2776/4885HDAC1 824/4885ADRB2 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.