SCHEMBL1109530

SCHEMBL1109530

COc1ccccc1CNC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
HDAC1 Q13547 3/20 0.54
ANPEP P15144 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 1/20 0.47
BCHE P06276 1/20 0.47
CASP1 P29466 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL1109231 0.90 HTT (0.58) HTTHDAC1ANPEPKMT2AMEN1
SCHEMBL404691 0.90 HDAC1 (0.50) HTTHDAC1ANPEP
SCHEMBL1109290 0.85 HTT (0.54) HTTHDAC1ANPEPKMT2AMEN1
SCHEMBL402706 0.81 HDAC1 (0.47) HTTHDAC1ANPEPKMT2AMEN1
SCHEMBL1912138 0.81 KMT2A (0.52) HTTHDAC1ANPEPKMT2AMEN1
SCHEMBL10286718 0.80 NPC1 (0.53) CTSB
SCHEMBL1194409 0.79 HTT (0.51) HTTHDAC1ANPEPKMT2ACASP1
SCHEMBL2246373 0.77 HTT (0.67) HTTHDAC1KMT2AMEN1TDP1
SCHEMBL1109117 0.77 CTSB (0.49) SMN1; SMN2CTSB
SCHEMBL1912195 0.76 HTT (0.46) HTTHDAC1KMT2AMEN1ALDH1A1

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 HTT 4781/4885HDAC1 824/4885ANPEP 744/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885ANPEP 744/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885ANPEP 744/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885ANPEP 744/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885ANPEP 744/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885ANPEP 744/4885

“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.