SCHEMBL404085

SCHEMBL404085

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)N3CCC(NC(=O)OC(C)(C)C)C3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
TAOK3 Q9H2K8 1/20 0.44
MCHR1 Q99705 5/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 1/20 0.43
USP30 Q70CQ3 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 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
SCHEMBL404847 0.86 MCHR1 (0.44) HDAC4HDAC6MCHR1CYP2D6TSHR
SCHEMBL404709 0.81 MCHR1 (0.54) MCHR1CYP2D6MEN1POLBKMT2A
SCHEMBL4538278 0.79 CHRM4 (0.45) GPR119MCHR1CYP2D6TSHRMEN1
SCHEMBL405132 0.78 CHRM4 (0.43) MCHR1CYP2D6MEN1POLBKMT2A
SCHEMBL404206 0.77 MCHR1 (0.46) TAOK3MCHR1CYP2D6KMT2A
SCHEMBL1105547 0.77 SMN1; SMN2 (0.45) GPR119MCHR1CYP2D6KMT2A
SCHEMBL1095512 0.76 MCHR1 (0.52) MCHR1CYP2D6DRD2DRD4
SCHEMBL404346 0.76 HDAC6 (0.44) HDAC6TAOK3MCHR1KMT2AHDAC2
SCHEMBL403500 0.75 CD274 (0.48) TSHRMEN1KMT2ACD274
SCHEMBL401213 0.74 ACKR3 (0.49) HDAC4HDAC6GPR119TAOK3USP30

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 29 patents — showing the first 20. 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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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-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-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-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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (4 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 HDAC4 1820/4885HDAC6 660/4885GPR119 1928/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC6 660/4885GPR119 1928/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC4 1820/4885HDAC6 660/4885GPR119 1928/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC6 660/4885GPR119 1928/4885

“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.