SCHEMBL1194245

SCHEMBL1194245

CC(C)C(C(=O)Nc1ccc(CCC(=O)O)cc1)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
HDAC3 O15379 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC4 P56524 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
EP300 Q09472 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
RAB9A P51151 1/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37

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
SCHEMBL1193806 0.92 PTGES (0.42) MAOBHDAC3HDAC1HDAC8HDAC4
SCHEMBL1082043 0.91 ITGB3 (0.39) MAOBHDAC3HDAC1HDAC8HDAC4
SCHEMBL1082041 0.88 MAOB (0.38) MAOBHDAC3HDAC1HDAC8HDAC4
SCHEMBL3707611 0.86 HDAC1 (0.43) MAOBHDAC3HDAC1HDAC8HDAC4
SCHEMBL1081120 0.86 HDAC1 (0.43) MAOBHDAC3HDAC1HDAC8HDAC4
SCHEMBL1178752 0.86 PTGES (0.49)
SCHEMBL1068094 0.85 PARP1 (0.45) MAOBITGB1ITGA4GCGR
SCHEMBL1081081 0.85 PTGES (0.50)
SCHEMBL1178108 0.84 MAOB (0.37) MAOBHDAC3HDAC1HDAC8HDAC4
SCHEMBL1178107 0.84 HDAC1 (0.38) MAOBHDAC3HDAC1HDAC8HDAC4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO 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 (1 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 MAOB 147/4885HDAC3 151/4885HDAC1 257/4885

“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.