SCHEMBL1109271

SCHEMBL1109271

CN(C)CCNCc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
TBK1 Q9UHD2 1/20 0.46
ALK Q9UM73 1/20 0.41
UTS2R Q9UKP6 10/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KLKB1 P03952 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
SCHEMBL10285917 0.93 HDAC1 (0.46) HDAC1TBK1UTS2RHDAC3HDAC4
SCHEMBL405350 0.91 HDAC1 (0.43) HDAC1TBK1ALK
SCHEMBL1109297 0.88 L3MBTL1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10287274 0.88 HDAC1 (0.41) HDAC1UTS2RL3MBTL1
SCHEMBL1109431 0.88 HDAC1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1194944 0.86 MCHR1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1109544 0.86 HRH4 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1109556 0.86 PRKD1 (0.47) HDAC1TBK1HDAC3HDAC4HDAC7
SCHEMBL1109257 0.85 HDAC1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1912291 0.85 HRH4 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2

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 824/4885TBK1 2168/4885ALK 4745/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885TBK1 2168/4885ALK 4745/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885TBK1 2168/4885ALK 4745/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885TBK1 2168/4885ALK 4745/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885TBK1 2168/4885ALK 4745/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885TBK1 2168/4885ALK 4745/4885

“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.