SCHEMBL414464

SCHEMBL414464

CN(Cc1ccccc1C(F)(F)F)C(=O)CCCN(C)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
BCHE P06276 3/20 0.47
POLQ O75417 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 11/20 0.41
SLC6A4 P31645 11/20 0.41
SLC6A3 Q01959 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL419478 0.83 ACHE (0.58) ACHEBCHETDP1CHRM2CHRM1
SCHEMBL417529 0.80 ACHE (0.47) ACHEBCHETDP1CHRM2CHRM1
SCHEMBL414465 0.79 ACHE (0.50) ACHEBCHEPOLQTDP1CHRM2
SCHEMBL415231 0.77 DRD2 (0.39) ACHEBCHETDP1CHRM2CHRM1
SCHEMBL413507 0.75 SMN1; SMN2 (0.45)
SCHEMBL413023 0.72 ACHE (0.52) ACHEBCHEPOLQTDP1SLC6A2
SCHEMBL19951709 0.72 POLQ (0.57) ACHEPOLQTDP1SLC6A2SLC6A4
SCHEMBL415183 0.71 ACHE (0.57) ACHEBCHETDP1CHRM2CHRM1
SCHEMBL415296 0.71 ACHE (0.52) ACHEBCHETDP1SLC6A2SLC6A4
SCHEMBL416389 0.70 ACHE (0.50) ACHEBCHEPOLQTDP1SLC6A2

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-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ACHE 4296/4885BCHE 3039/4885POLQ 1858/4885

“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.