SCHEMBL3235136

SCHEMBL3235136

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCCCN2CCOCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TSHR P16473 4/20 0.36
ROCK2 O75116 1/20 0.34
MAPT P10636 5/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 2/20 0.32
CASR P41180 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3230027 0.99 USP2 (0.38) USP2TSHRROCK2MAPTHSD17B10
SCHEMBL3221274 0.98 USP2 (0.40) USP2TSHRROCK2MAPTHSD17B10
SCHEMBL1496844 0.95 USP2 (0.36) USP2TSHRROCK2MAPTHSD17B10
SCHEMBL3232062 0.95 ROCK2 (0.33) USP2TSHRROCK2
SCHEMBL10476402 0.93 USP2 (0.38) USP2TSHRROCK2MAPTHSD17B10
SCHEMBL3232056 0.92 TSHR (0.34) USP2TSHRROCK2MAPTALDH1A1
SCHEMBL3234655 0.91 USP2 (0.33) USP2TSHR
SCHEMBL1496963 0.91 CASR (0.34) USP2TSHRROCK2MAPTALDH1A1
SCHEMBL3233994 0.91 HDAC1 (0.35)
SCHEMBL3226053 0.90 ABL1 (0.32) TSHRROCK2MAPTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 USP2 3063/4885TSHR 4241/4885ROCK2 125/4885

“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.