SCHEMBL3226314

SCHEMBL3226314

CN(C)CCCC(NC(=O)Nc1ccccc1F)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
P4HTM Q9NXG6 1/20 0.37
S1PR3 Q99500 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3230143 0.89 UTS2R (0.40) UTS2RNPC1ROCK2ROCK1
SCHEMBL3227966 0.89 UTS2R (0.42) UTS2RS1PR3ROCK2ROCK1
SCHEMBL3226027 0.88 UTS2R (0.42) UTS2RMEN1KMT2AROCK2ROCK1
SCHEMBL4220508 0.88 UTS2R (0.41) UTS2RSMN1; SMN2NPC1ROCK2ROCK1
SCHEMBL3227897 0.88 UTS2R (0.52) UTS2RROCK2ROCK1
SCHEMBL4377779 0.87 UTS2R (0.52) UTS2RROCK2ROCK1
SCHEMBL3215252 0.87 UTS2R (0.39) UTS2RSMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL3234631 0.87 NAMPT (0.42) UTS2RNPC1MEN1KMT2AROCK2
SCHEMBL3234013 0.87 UTS2R (0.43) UTS2RSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3222714 0.87 UTS2R (0.39) UTS2RROCK2ROCK1

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 2161/4885SMN1; SMN2 4844/4885NPC1 857/4885

“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.