SCHEMBL417408

SCHEMBL417408

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
BIRC2 Q13490 1/20 0.46
HSP90AA1 P07900 2/20 0.46
HTT P42858 1/20 0.46
NOTUM Q6P988 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL412375 0.92 MAPT (0.52) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL418454 0.83 MAPT (0.48) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL2486415 0.81 MAPT (0.39) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL416024 0.80 BIRC2 (0.55) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL30912010 0.78 NOTUM (0.57) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL10283935 0.78 MAPT (0.53) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL413454 0.77 MAPT (0.50) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL30911987 0.77 BIRC2 (0.54) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL415731 0.75 MAPT (0.52) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL6962584 0.75 BIRC2 (0.57) MAPTTSHRSMN1; SMN2RAB9ANPC1

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 4 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
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 4221/4885SMN1; SMN2 4050/4885

“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.