SCHEMBL3223876

SCHEMBL3223876

CN(C)CCCC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FPR2 P25090 1/20 0.38
P2RY1 P47900 3/20 0.37
P2RY14 Q15391 2/20 0.37
P2RY2 P41231 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.36
RAF1 P04049 1/20 0.36
EPHX2 P34913 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL3227213 0.92 UTS2R (0.51) UTS2RROCK2ROCK1FPR2HDAC1
SCHEMBL3227897 0.91 UTS2R (0.52) UTS2RROCK2ROCK1FPR2HDAC1
SCHEMBL4377779 0.89 UTS2R (0.52) UTS2RROCK2ROCK1
SCHEMBL2386689 0.89 UTS2R (0.46) UTS2RMEN1KMT2AROCK2ROCK1
SCHEMBL3233601 0.87 UTS2R (0.42) UTS2RROCK2ROCK1HDAC1
SCHEMBL3226314 0.86 UTS2R (0.42) UTS2RMEN1KMT2AROCK2ROCK1
SCHEMBL3227966 0.86 UTS2R (0.42) UTS2RROCK2ROCK1HDAC1
SCHEMBL3230143 0.86 UTS2R (0.40) UTS2RROCK2ROCK1NPC1RAB9A
SCHEMBL3226027 0.86 UTS2R (0.42) UTS2RMEN1KMT2AROCK2ROCK1
SCHEMBL3222714 0.86 UTS2R (0.39) UTS2RROCK2ROCK1HDAC1

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 UTS2R 2161/4885MEN1 3719/4885KMT2A 305/4885

“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.