SCHEMBL4223063

SCHEMBL4223063

CN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3N)nc2)C(=O)NCCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.43
HDAC3 O15379 8/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC6 Q9UBN7 3/20 0.41
NCOR1 O75376 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HIF1A Q16665 2/20 0.40
NCOR2 Q9Y618 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 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
SCHEMBL4229601 0.95 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL13570020 0.92 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL7999005 0.91 HDAC3 (0.39) HDAC1HDAC3HDAC2HDAC6KCNH2
SCHEMBL12250204 0.88 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL4229292 0.87 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC2HDAC6
SCHEMBL3224387 0.87 SIGMAR1 (0.42) HDAC1HIF1APOLBTSHR
SCHEMBL7998217 0.87 AVPR1A (0.41) HDAC1HDAC3HDAC2HDAC6HIF1A
SCHEMBL2383598 0.87 NAMPT (0.46) HDAC1HDAC3HDAC8HDAC2POLB
SCHEMBL4234594 0.86 NAMPT (0.44) HDAC1HDAC3HDAC8HDAC2POLB
SCHEMBL4224059 0.86 HDAC1 (0.43) HDAC1HDAC3HDAC8HDAC2HDAC6

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 1018/4885HDAC8 2054/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 HDAC1 1/4885HDAC3 9/4885HDAC8 7/4885

“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.