SCHEMBL3218944

SCHEMBL3218944

CN(C)CCCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
UTS2R Q9UKP6 9/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2478122 0.90 UTS2R (0.42) NPC1RAB9ACASP3SENP7SENP8
SCHEMBL3234013 0.88 UTS2R (0.43) UTS2RSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4227992 0.88 HDAC3 (0.42) NPC1RAB9ACASP3SENP7SENP8
SCHEMBL4377779 0.87 UTS2R (0.52) UTS2RROCK2ROCK1
SCHEMBL4219712 0.86 UTS2R (0.39) NPC1RAB9AUTS2RTP53SMN1; SMN2
SCHEMBL3230143 0.86 UTS2R (0.40) NPC1RAB9AUTS2RROCK2ROCK1
SCHEMBL3227966 0.86 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3218967 0.86 UTS2R (0.42) UTS2RMAPTROCK2ROCK1
SCHEMBL3226027 0.86 UTS2R (0.42) UTS2RMAPTMEN1KMT2AROCK2
SCHEMBL3227213 0.86 UTS2R (0.51) 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 NPC1 857/4885RAB9A 1539/4885CASP3 1312/4885

“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.