SCHEMBL1109435

SCHEMBL1109435

NC[C@H](NC(=O)c1ccc(-c2ccc(CN3CCC(c4ccccc4)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.54
HDAC1 Q13547 10/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC4 P56524 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
KCNH2 Q12809 1/20 0.48
KDM1A O60341 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR1 P32246 1/20 0.46

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
SCHEMBL1095675 0.92 HDAC1 (0.49) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL1109204 0.85 DRD4 (0.48) DRD2DRD4MEN1KMT2ACCR1
SCHEMBL13825461 0.85 MCHR1 (0.56) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL1109419 0.85 HDAC6 (0.60) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL1912159 0.84 HDAC1 (0.53) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL10286676 0.84 HDAC6 (0.59) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL1195043 0.84 HDAC6 (0.59) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL1109280 0.83 L3MBTL3 (0.52) MCHR1HDAC1HDAC6HDAC4HDAC8
SCHEMBL1109236 0.82 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1109521 0.82 HDAC6 (0.62) MCHR1HDAC1HDAC6HDAC4HDAC8

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 MCHR1 4181/4885HDAC1 824/4885HDAC6 660/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885HDAC6 660/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885HDAC6 660/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885HDAC6 660/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885HDAC6 660/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885HDAC6 660/4885

“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.