SCHEMBL1109274

SCHEMBL1109274

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(N3CCNCC3)nc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
ENPP2 Q13822 1/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC3 O15379 3/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
HDAC1 Q13547 2/20 0.42
CACNA1C Q13936 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL1912208 0.90 HDAC6 (0.48) ENPP2
SCHEMBL1109397 0.90 HDAC6 (0.48) ENPP2
SCHEMBL1912217 0.89 RAB9A (0.48) ENPP2HDAC2HDAC3
SCHEMBL437709 0.88
SCHEMBL1109164 0.88 HDAC6 (0.52)
SCHEMBL14400851 0.88 HDAC6 (0.52)
SCHEMBL14400741 0.88 HDAC6 (0.52)
SCHEMBL12320674 0.84
SCHEMBL1912222 0.82 KCNH2 (0.49) KCNH2HDAC2HDAC3IKBKETBK1
SCHEMBL13825578 0.78 HDAC3 (0.46) HDAC3

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 10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KCNH2 3106/4885ENPP2 1892/4885HDAC2 2776/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KCNH2 3106/4885ENPP2 1892/4885HDAC2 2776/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KCNH2 3106/4885ENPP2 1892/4885HDAC2 2776/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KCNH2 3106/4885ENPP2 1892/4885HDAC2 2776/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KCNH2 3106/4885ENPP2 1892/4885HDAC2 2776/4885

“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.