SCHEMBL3226027

SCHEMBL3226027

CN(C)CCCC(NC(=O)Nc1cccc(F)c1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.42
KIT P10721 1/20 0.39
DDR2 Q16832 1/20 0.39
MTOR P42345 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MCHR1 Q99705 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
ATM Q13315 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
SCHEMBL3230267 0.98 UTS2R (0.41) UTS2RKITDDR2MTORRXFP1
SCHEMBL3262063 0.97 UTS2R (0.41) UTS2RKITDDR2MTORRXFP1
SCHEMBL3230618 0.95 UTS2R (0.47) UTS2RKITDDR2MTORRXFP1
SCHEMBL1496869 0.94 UTS2R (0.41) UTS2RKITDDR2MTORMCHR1
SCHEMBL3232026 0.93 TMEM97 (0.39) UTS2RKITDDR2MTORRXFP1
SCHEMBL3234013 0.92 UTS2R (0.43) UTS2RRXFP1ROCK2ROCK1MEN1
SCHEMBL3218967 0.91 UTS2R (0.42) UTS2RRXFP1ROCK2ROCK1MAPT
SCHEMBL3227966 0.90 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3230143 0.90 UTS2R (0.40) UTS2RROCK2ROCK1
SCHEMBL1496837 0.90 UTS2R (0.46) UTS2RKITDDR2MTORRXFP1

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 2161/4885KIT 1662/4885DDR2 3938/4885

“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.