SCHEMBL1912239

SCHEMBL1912239

COc1ccc(CNCc2ccc(-c3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HDAC1 Q13547 7/20 0.52
HDAC8 Q9BY41 3/20 0.52
ANPEP P15144 2/20 0.50
KDM1A O60341 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CA2 P00918 2/20 0.47
HDAC6 Q9UBN7 2/20 0.46
KLKB1 P03952 1/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
HDAC5 Q9UQL6 1/20 0.44
CTSK P43235 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
SCHEMBL1096418 0.90 ANPEP (0.47) NPC1RAB9AHDAC1HDAC8ANPEP
SCHEMBL1109445 0.90 HDAC1 (0.66) NPC1RAB9AHDAC1HDAC8ANPEP
SCHEMBL1109541 0.89 POLB (0.53) NPC1RAB9AHDAC1HDAC8ANPEP
SCHEMBL1109283 0.87 HDAC1 (0.49) NPC1RAB9AHDAC1HDAC8ANPEP
SCHEMBL1109556 0.87 PRKD1 (0.47) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1109257 0.86 HDAC1 (0.44) NPC1RAB9AHDAC1HDAC8ANPEP
SCHEMBL10286213 0.86 HDAC8 (0.58) HDAC1HDAC8ANPEPCA2HDAC6
SCHEMBL1109290 0.86 HTT (0.54) NPC1RAB9AHDAC1HDAC8ANPEP
SCHEMBL1912276 0.85 HDAC8 (0.49) HDAC1HDAC8ANPEPALDH1A1CA2
SCHEMBL1912272 0.85 HDAC6 (0.50) NPC1RAB9AHDAC1HDAC8ALDH1A1

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 NPC1 371/4885RAB9A 557/4885HDAC1 824/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HDAC1 824/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HDAC1 824/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HDAC1 824/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HDAC1 824/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HDAC1 824/4885

“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.