SCHEMBL3225632

SCHEMBL3225632

CN(C)CCC(NC(=O)Nc1cccnc1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
UTS2R Q9UKP6 10/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ACACB O00763 1/20 0.39
AHR P35869 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 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
SCHEMBL3234631 0.95 NAMPT (0.42) NAMPTUTS2RROCK2ROCK1ACACB
SCHEMBL1497125 0.94 NAMPT (0.42) NAMPTUTS2RROCK2ROCK1ACACB
SCHEMBL2471459 0.90 NAMPT (0.54) NAMPTUTS2RROCK2ROCK1NPC1
SCHEMBL3224956 0.89 UTS2R (0.48) UTS2RROCK2ROCK1KDM4EMEN1
SCHEMBL3230618 0.88 UTS2R (0.47) UTS2RROCK2ROCK1KDM4EMEN1
SCHEMBL3225647 0.87 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL3262927 0.87 UTS2R (0.61) UTS2RROCK2ROCK1
SCHEMBL3232007 0.87 UTS2R (0.45) UTS2RROCK2ROCK1
SCHEMBL4218016 0.86 UTS2R (0.49) UTS2RROCK2ROCK1MEN1NPC1
SCHEMBL4231224 0.86 HDAC4 (0.47) NAMPTUTS2RROCK2ROCK1

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 NAMPT 719/4885UTS2R 2161/4885ROCK2 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.