SCHEMBL412375

SCHEMBL412375

CCOC(=O)c1ccccc1OCCCC(=O)N1CCc2ccc(OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.47
NOTUM Q6P988 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
BIRC2 Q13490 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL417408 0.92 MAPT (0.54) MAPTTSHRNPSR1KMT2ALMNA
SCHEMBL413397 0.84 RAB9A (0.46) MAPTTSHRKMT2AMEN1GAA
SCHEMBL2484791 0.80 MAPT (0.41) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL418447 0.78 BIRC2 (0.41) MAPTTSHRKMT2ARAB9ASMN1; SMN2
SCHEMBL2486917 0.78 MAPT (0.39) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL416024 0.78 BIRC2 (0.55) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL419253 0.77 BIRC2 (0.41) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL417648 0.77 BIRC2 (0.40) MAPTTSHRKMT2ARAB9ASMN1; SMN2
SCHEMBL413454 0.75 MAPT (0.50) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL418454 0.75 MAPT (0.48) MAPTTSHRKMT2AMEN1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP claimed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 MAPT 3216/4885TSHR 4221/4885NPSR1 3774/4885

“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.