SCHEMBL4229750

SCHEMBL4229750

CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.47
HDAC3 O15379 13/20 0.47
HDAC2 Q92769 12/20 0.47
HDAC10 Q969S8 3/20 0.44
HDAC8 Q9BY41 2/20 0.43
ROCK2 O75116 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 7/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
ROCK1 Q13464 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
SCHEMBL2384379 0.93 ROCK2 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4219349 0.92 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4222700 0.92 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4229735 0.91 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2384024 0.91 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4225176 0.89 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL13585750 0.89 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2386727 0.89 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2385437 0.89 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4219342 0.89 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC8

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-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
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
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 (2 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-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE HCAR1, CBR1, UACA HDAC1 1000/4885HDAC3 1018/4885HDAC2 1438/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 HDAC1 1/4885HDAC3 9/4885HDAC2 8/4885

“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.