SCHEMBL1109230

SCHEMBL1109230

Cc1cccc(CNCC(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CSGALNACT1 Q8TDX6 1/20 0.39
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL462066 0.92 USP2 (0.40) USP2KDM4EMAPTALDH1A1GAA
SCHEMBL13659687 0.91 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL405186 0.91 USP2 (0.39) USP2KDM4EMAPTALDH1A1GAA
SCHEMBL1109362 0.90 ANPEP (0.43) HDAC1LMNAHPGDCSGALNACT1ROCK2
SCHEMBL1109292 0.90 HDAC1 (0.47) ALDH1A1MEN1KMT2AHDAC1HDAC2
SCHEMBL1109440 0.90 RECQL (0.47) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL1109298 0.90 RECQL (0.47) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL1109472 0.89 LMNA (0.47) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL1109323 0.89 HDAC1 (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1912161 0.88 LMNA (0.43) KDM4EMAPTALDH1A1GAAMEN1

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-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 USP2 4316/4885PSEN1 3198/4885PSEN2 3825/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS USP2 4316/4885PSEN1 3198/4885PSEN2 3825/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS USP2 4316/4885PSEN1 3198/4885PSEN2 3825/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS USP2 4316/4885PSEN1 3198/4885PSEN2 3825/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS USP2 4316/4885PSEN1 3198/4885PSEN2 3825/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS USP2 4316/4885PSEN1 3198/4885PSEN2 3825/4885

“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.