SCHEMBL3218367

SCHEMBL3218367

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.46
NAMPT P43490 5/20 0.43
SIGMAR1 Q99720 3/20 0.42
TSHR P16473 3/20 0.41
ROCK2 O75116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
SCHEMBL3228223 0.98 USP2 (0.44) USP2NAMPTSIGMAR1TSHRROCK2
SCHEMBL3227861 0.97 USP2 (0.43) USP2NAMPTSIGMAR1TSHRROCK2
SCHEMBL1496985 0.95 USP2 (0.45) USP2NAMPTSIGMAR1TSHRROCK2
SCHEMBL3230881 0.95 KDM1A (0.44) USP2NAMPTTSHRROCK2CD274
SCHEMBL1496867 0.93 USP2 (0.43) USP2NAMPTSIGMAR1TSHRROCK2
SCHEMBL3225988 0.93 USP2 (0.47) USP2NAMPTTSHRROCK2CD274
SCHEMBL3223286 0.93 SIGMAR1 (0.45) USP2NAMPTSIGMAR1
SCHEMBL8004861 0.92 USP2 (0.45) USP2NAMPTSIGMAR1TSHRROCK2
SCHEMBL3230832 0.91 HSD17B10 (0.46) USP2TSHRHSD17B10POLBKDM4E
SCHEMBL8001525 0.91 POLB (0.42) USP2NAMPTSIGMAR1TSHRROCK2

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 9 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
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-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 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 USP2 1702/4885NAMPT 3581/4885SIGMAR1 112/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 USP2 3063/4885NAMPT 719/4885SIGMAR1 4153/4885

“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.