SCHEMBL4229293

SCHEMBL4229293

CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccc2c(c1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HDAC1 Q13547 12/20 0.44
HDAC3 O15379 9/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC10 Q969S8 3/20 0.41
HDAC8 Q9BY41 4/20 0.40
ROCK2 O75116 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC11 Q96DB2 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
GAA P10253 1/20 0.36
ROCK1 Q13464 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL2385694 0.92 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4232480 0.90 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4222622 0.89 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL4224002 0.89 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2386857 0.88 TSHR (0.47) ATMROCK2GAA
SCHEMBL3226302 0.88 ATM (0.47) ATMHDAC1ROCK2HDAC6PDCD1
SCHEMBL4227976 0.88 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2383085 0.87 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL1496982 0.86 ATM (0.47) ATMHDAC1HDAC3HDAC2ROCK2
SCHEMBL2384024 0.84 HDAC1 (0.49) 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-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 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 ATM 3958/4885HDAC1 1000/4885HDAC3 1018/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 ATM 2252/4885HDAC1 1/4885HDAC3 9/4885

“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.