SCHEMBL404035

SCHEMBL404035

CCc1ccc(C#Cc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.58
HDAC6 Q9UBN7 9/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC3 O15379 2/20 0.53
NCOR2 Q9Y618 1/20 0.53
HDAC1 Q13547 6/20 0.51
ACACB O00763 2/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HDAC2 Q92769 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL6918025 0.89 PLK1 (0.70) PLK1HDAC6HDAC8HDAC3NCOR2
SCHEMBL401468 0.84 PLK1 (0.63) PLK1HDAC6HDAC8HDAC3NCOR2
SCHEMBL18712260 0.81 PTPN11 (0.58) PLK1ACACBALDH1A1TDP1
SCHEMBL404992 0.80 PPARG (0.57) ACACB
SCHEMBL5380043 0.79 HDAC6 (0.63) PLK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL21628685 0.79 PLK1 (0.58) PLK1HDAC6HDAC8HDAC3NCOR2
SCHEMBL404941 0.79 ACACB (0.49) ACACB
SCHEMBL404556 0.79 TAS1R3 (0.47) ACACBTAS1R3TAS1R1
SCHEMBL14168593 0.78 HDAC1 (0.48) HDAC6HDAC8HDAC3NCOR2HDAC1
SCHEMBL5050178 0.77 CYP2A6 (0.64) ACACBALDH1A1TDP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP 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-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-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-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-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 (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 PLK1 2781/4885HDAC6 660/4885HDAC8 2159/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PLK1 2781/4885HDAC6 660/4885HDAC8 2159/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PLK1 2781/4885HDAC6 660/4885HDAC8 2159/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885HDAC6 660/4885HDAC8 2159/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PLK1 2781/4885HDAC6 660/4885HDAC8 2159/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885HDAC6 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.