SCHEMBL1109505

SCHEMBL1109505

Cc1ccc(CN(C)CC(=O)Nc2ccc(-c3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
LTA4H P09960 3/20 0.41
ACHE P22303 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL461586 0.92 POLB (0.46) KMT2AMEN1LMNAHDAC1HDAC6
SCHEMBL1109312 0.92 LTA4H (0.47) KMT2AMEN1ALDH1A1POLBLTA4H
SCHEMBL10286695 0.91 LTA4H (0.48) KMT2AMEN1HDAC1ALDH1A1LTA4H
SCHEMBL1109216 0.86 HDAC1 (0.39) LMNAHDAC1HDAC6ALDH1A1POLB
SCHEMBL1109588 0.85 ALDH1A1 (0.48) KMT2AMEN1HDAC1HDAC6ALDH1A1
SCHEMBL1109324 0.85 KMT2A (0.47) KMT2AMEN1LMNAHDAC1HDAC6
SCHEMBL1109202 0.85 MAPT (0.44) HDAC1ALDH1A1POLBMAPT
SCHEMBL10286700 0.85 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1LTA4H
SCHEMBL1109255 0.84 ALDH1A1 (0.40) KMT2AALDH1A1LTA4H
SCHEMBL1912243 0.84 ALDH1A1 (0.40) KMT2ALMNAHDAC1HDAC6ALDH1A1

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 KMT2A 4800/4885MEN1 2414/4885LMNA 3397/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885LMNA 3397/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885LMNA 3397/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885LMNA 3397/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885LMNA 3397/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885LMNA 3397/4885

“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.