SCHEMBL3227901

SCHEMBL3227901

CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1)C(=O)NC1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL3221345 0.96 HDAC1 (0.37) ROCK1ROCK2HDAC1HDAC6PDCD1
SCHEMBL3226171 0.96 HDAC1 (0.35) ROCK1ROCK2HDAC1HDAC6PDCD1
SCHEMBL3233994 0.95 HDAC1 (0.35) ROCK1HDAC1HDAC6PDCD1CD274
SCHEMBL1482181 0.95 ROCK2 (0.31) ROCK1ROCK2
SCHEMBL4229098 0.94 PDCD1 (0.31) HDAC1PDCD1CD274
SCHEMBL4235000 0.93 HDAC1 (0.36) HDAC1HDAC6PDCD1CD274
SCHEMBL3829607 0.91 HDAC1 (0.38) ROCK1ROCK2HDAC1HDAC6
SCHEMBL10476401 0.91 HDAC1 (0.33) HDAC1HDAC6
SCHEMBL3226053 0.90 ABL1 (0.32) ROCK1ROCK2
SCHEMBL3229673 0.89 HDAC1 (0.31) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 ROCK1 62/4885ROCK2 125/4885HDAC1 1/4885

“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.