SCHEMBL4222631

SCHEMBL4222631

Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccc(N3CCOCC3)nc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
HDAC1 Q13547 4/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC2 Q92769 2/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
HDAC8 Q9BY41 1/20 0.43
NAMPT P43490 1/20 0.43
ROCK2 O75116 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL13570017 0.96 USP2 (0.48) USP2HDAC1OPRM1OPRD1HDAC3
SCHEMBL4220744 0.90 USP2 (0.53) USP2HDAC1OPRM1OPRD1HDAC3
SCHEMBL4233143 0.88 USP2 (0.52) USP2HDAC1OPRM1OPRD1HDAC3
SCHEMBL2386705 0.88 USP2 (0.58) USP2HDAC1OPRM1OPRD1HDAC3
SCHEMBL4233198 0.88 USP2 (0.56) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL4232530 0.87 HSD17B10 (0.54) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL4225372 0.87 USP2 (0.54) USP2HDAC1OPRM1OPRD1HDAC3
SCHEMBL2385916 0.87 USP2 (0.54) USP2HDAC1OPRM1OPRD1HDAC3
SCHEMBL4224294 0.87 USP2 (0.49) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL12250496 0.87 USP2 (0.51) USP2OPRM1OPRD1TSHRMAPT

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 USP2 1702/4885HDAC1 1000/4885OPRM1 376/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 USP2 3063/4885HDAC1 1/4885OPRM1 4710/4885

“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.