SCHEMBL1109161

SCHEMBL1109161

CC(C)(C)c1ccc(CNCC(=O)Nc2ccc(-c3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
NR1H4 Q96RI1 5/20 0.44
EPHX2 P34913 4/20 0.44
F9 P00740 2/20 0.44
HDAC3 O15379 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC11 Q96DB2 1/20 0.42
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
GCGR P47871 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 1/20 0.42
KIF11 P52732 1/20 0.40

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
SCHEMBL403187 0.92 LMNA (0.43) LMNAHPGDNR1H4EPHX2HDAC3
SCHEMBL1912139 0.91 LMNA (0.43) LMNAHPGDHDAC8HDAC6KIF11
SCHEMBL1109167 0.90 LMNA (0.47) LMNAHPGDHDAC3HDAC8HDAC6
SCHEMBL1109483 0.89 LMNA (0.45) LMNAHPGDHDAC8
SCHEMBL1109171 0.89 HPGD (0.45) LMNAHPGDHDAC8
SCHEMBL12379790 0.89 LMNA (0.45) LMNAHPGDNR1H4HDAC3HDAC8
SCHEMBL10285938 0.88 RECQL (0.48) LMNAHPGDNR1H4HDAC3HDAC8
SCHEMBL1109250 0.88 LMNA (0.45) LMNAHPGDNR1H4EPHX2MAPT
SCHEMBL1109541 0.88 POLB (0.53) LMNAHPGDHDAC3HDAC8HDAC6
SCHEMBL1912133 0.87 LMNA (0.44) LMNAHPGDNR1H4EPHX2MAPT

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 LMNA 3397/4885HPGD 408/4885NR1H4 375/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885NR1H4 375/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885NR1H4 375/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885NR1H4 375/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885NR1H4 375/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885NR1H4 375/4885

“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.