SCHEMBL4233246

SCHEMBL4233246

Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccsc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
USP2 O75604 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
MAPT P10636 4/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
THRB P10828 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ROCK2 O75116 1/20 0.44
TP53 P04637 1/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4222624 0.98 TSHR (0.47) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL8000862 0.92 USP2 (0.48) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL4233198 0.89 USP2 (0.56) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL2474112 0.89 TSHR (0.53) TSHROPRM1OPRD1MAPTHSD17B10
SCHEMBL4220744 0.89 USP2 (0.53) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL2386705 0.88 USP2 (0.58) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL8004767 0.88 ALDH1A1 (0.49) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL4235024 0.87 CASR (0.52) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL2385916 0.87 USP2 (0.54) TSHRUSP2OPRM1OPRD1MAPT
SCHEMBL2384653 0.87 MAPT (0.63) TSHRUSP2OPRM1OPRD1MAPT

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 TSHR 167/4885USP2 1702/4885OPRM1 376/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 TSHR 4241/4885USP2 3063/4885OPRM1 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.