SCHEMBL3221377

SCHEMBL3221377

Cc1cccc(NC(=O)N(CCCCCN2CCOCC2)Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
USP2 O75604 3/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CASR P41180 2/20 0.44
ROCK2 O75116 1/20 0.43
EPHX2 P34913 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3231608 0.99 TSHR (0.50) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3218279 0.97 TSHR (0.52) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL12249981 0.93 USP2 (0.51) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3234688 0.93 TSHR (0.49) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3234548 0.93 TSHR (0.49) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3229285 0.92 USP2 (0.51) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3230310 0.92 TSHR (0.52) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3232059 0.91 USP2 (0.53) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3227168 0.91 TSHR (0.61) TSHRUSP2LMNAALDH1A1GAA
SCHEMBL3225963 0.91 MAPT (0.47) TSHRUSP2LMNAALDH1A1GAA

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 TSHR 167/4885USP2 1702/4885LMNA 2299/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 TSHR 4241/4885USP2 3063/4885LMNA 1819/4885

“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.