SCHEMBL1109544

SCHEMBL1109544

CCCCNCc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HDAC1 Q13547 8/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC3 O15379 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC11 Q96DB2 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL1912291 0.97 HRH4 (0.52) HRH4HRH3HDAC1HDAC2HDAC8
SCHEMBL1109261 0.96 HRH4 (0.51) HRH4HRH3HDAC1HDAC2HDAC8
SCHEMBL1109297 0.93 L3MBTL1 (0.49) HRH4HRH3HDAC1HDAC2HDAC8
SCHEMBL1109431 0.91 HDAC1 (0.52) HDAC1HDAC2HDAC8HDAC3L3MBTL1
SCHEMBL404969 0.90 L3MBTL1 (0.40) L3MBTL1
SCHEMBL1109278 0.90 HDAC1 (0.44) HDAC1HDAC2HDAC8HDAC3L3MBTL1
SCHEMBL1912272 0.89 HDAC6 (0.50) HDAC1HDAC2HDAC8HDAC3L3MBTL1
SCHEMBL1109257 0.89 HDAC1 (0.44) HDAC1HDAC2HDAC8HDAC3L3MBTL1
SCHEMBL1194944 0.87 MCHR1 (0.50) HDAC1HDAC2HDAC8HDAC3L3MBTL1
SCHEMBL10285917 0.87 HDAC1 (0.46) HDAC1HDAC2HDAC8HDAC3HDAC11

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 HRH4 3744/4885HRH3 4195/4885HDAC1 824/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HRH4 3744/4885HRH3 4195/4885HDAC1 824/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HRH4 3744/4885HRH3 4195/4885HDAC1 824/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HRH4 3744/4885HRH3 4195/4885HDAC1 824/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HRH4 3744/4885HRH3 4195/4885HDAC1 824/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HRH4 3744/4885HRH3 4195/4885HDAC1 824/4885

“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.