SCHEMBL1109569

SCHEMBL1109569

NCc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.57
HDAC3 O15379 2/20 0.57
NCOR2 Q9Y618 1/20 0.57
HDAC1 Q13547 2/20 0.46
KLKB1 P03952 1/20 0.46
MCHR1 Q99705 1/20 0.46
HPGDS O60760 3/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CTSB P07858 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1109400 0.93 CTSB (0.47) HPGDSCTSBCTSSCTSK
SCHEMBL1109286 0.91 CTSB (0.51) HDAC6HDAC3NCOR2HDAC1KLKB1
SCHEMBL1109321 0.90 HDAC6 (0.44) HDAC6HDAC3NCOR2HDAC1HPGDS
SCHEMBL1109147 0.89 TAS1R3 (0.50) HDAC6HDAC3NCOR2CTSBCTSS
SCHEMBL403036 0.89 TAS1R3 (0.50) HDAC6HDAC3NCOR2CTSBCTSS
SCHEMBL401005 0.88 HPGDS (0.54) HDAC6HDAC3HDAC1HPGDSHDAC4
SCHEMBL401441 0.88 HPGDS (0.54) HDAC6HDAC3HDAC1HPGDSHDAC4
SCHEMBL1109185 0.87 CTSB (0.43) HPGDSCTSB
SCHEMBL1109484 0.87 ANPEP (0.50) HDAC1HPGDSCTSB
SCHEMBL29534040 0.87 OGG1 (0.49) HPGDSCTSBCTSSCTSK

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 4 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 (2 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885HDAC3 2114/4885NCOR2 3652/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC6 660/4885HDAC3 2114/4885NCOR2 3652/4885

“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.