SCHEMBL404863

SCHEMBL404863

CN1CCN(Cc2ccc(C#Cc3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
ALK Q9UM73 5/20 0.48
HDAC4 P56524 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 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
SCHEMBL404695 0.91 HDAC1 (0.56) HDAC6HDAC4KCNH2HDAC1
SCHEMBL1109521 0.91 HDAC6 (0.62) HDAC6CTSLCTSBCTSSCTSK
SCHEMBL401616 0.90 HDAC1 (0.55) HDAC6HDAC4KCNH2HDAC1
SCHEMBL402894 0.90 HDAC1 (0.55) HDAC6HDAC4KCNH2HDAC1
SCHEMBL440996 0.88 MMP13 (0.52)
SCHEMBL403706 0.86 HDAC4 (0.50) HDAC6HDAC4KCNH2HDAC1
SCHEMBL13245358 0.85 HDAC6 (0.58) HDAC6CTSLCTSBCTSSCTSK
SCHEMBL401456 0.84 LMNA (0.44)
SCHEMBL406333 0.84 MMP13 (0.48)
SCHEMBL403074 0.84 HDAC6 (0.59) HDAC6

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 21 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-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-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-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 (7 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 HDAC6 660/4885CTSL 127/4885CTSB 259/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885CTSL 127/4885CTSB 259/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885CTSL 127/4885CTSB 259/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885CTSL 127/4885CTSB 259/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885CTSL 127/4885CTSB 259/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885CTSL 127/4885CTSB 259/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC6 660/4885CTSL 127/4885CTSB 259/4885

“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.