SCHEMBL1109461

SCHEMBL1109461

CCN(C)Cc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC8 Q9BY41 2/20 0.47
PPARG P37231 1/20 0.45
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL401447 0.90 PPARG (0.45) HDAC1HDAC6HDAC8PPARG
SCHEMBL1109258 0.89 MCHR1 (0.47) HDAC1HDAC6HDAC8PPARGHRH3
SCHEMBL1109542 0.87 PPARG (0.44) HDAC1HDAC6HDAC8PPARGHRH3
SCHEMBL400177 0.85 TAS1R3 (0.50) PPARGNPC1RAB9A
SCHEMBL254484 0.85 HDAC6 (0.50) HDAC1HDAC6HDAC8PPARG
SCHEMBL5450568 0.83 CA2 (0.49) PPARG
SCHEMBL405181 0.83 CA2 (0.49) PPARG
SCHEMBL401432 0.83 TAS1R3 (0.48) PPARGNPC1RAB9A
SCHEMBL5453119 0.83 TAS1R3 (0.49) PPARGNPC1RAB9A
SCHEMBL399540 0.83 TAS1R3 (0.49) PPARGNPC1RAB9A

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 HDAC1 824/4885HDAC6 660/4885HDAC8 2159/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885HDAC8 2159/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885HDAC8 2159/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885HDAC8 2159/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885HDAC8 2159/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885HDAC8 2159/4885

“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.