SCHEMBL4229735

SCHEMBL4229735

CN(C)CCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.46
HDAC3 O15379 12/20 0.46
HDAC2 Q92769 11/20 0.46
ROCK2 O75116 2/20 0.45
NCOR2 Q9Y618 7/20 0.43
HDAC10 Q969S8 2/20 0.42
ROCK1 Q13464 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOR1 O75376 1/20 0.40
SOAT1 P35610 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL4222700 0.99 HDAC1 (0.46) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL2384379 0.97 ROCK2 (0.47) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL2384670 0.94 ROCK2 (0.51) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL13585916 0.92 HDAC1 (0.44) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL13569996 0.91 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL4229750 0.91 HDAC1 (0.47) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL4223944 0.89 HDAC1 (0.45) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL4225104 0.88 MITF (0.47) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL2384024 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC2ROCK2NCOR2
SCHEMBL4224014 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC2ROCK2NCOR2

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 7 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-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.