SCHEMBL413023

SCHEMBL413023

CN(Cc1ccccc1C(F)(F)F)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
BCHE P06276 1/20 0.46
POLQ O75417 1/20 0.42
ALDH1A1 P00352 1/20 0.38
SLC6A2 P23975 8/20 0.38
SLC6A4 P31645 8/20 0.38
SLC6A3 Q01959 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL416389 0.89 ACHE (0.50) ACHEBCHEPOLQALDH1A1SLC6A2
SCHEMBL417417 0.86 ACHE (0.48) ACHEBCHEPOLQALDH1A1SLC6A2
SCHEMBL415110 0.85 TDP1 (0.48) ALDH1A1NPC1RAB9ATDP1
SCHEMBL419661 0.85 RAB9A (0.43) ACHEBCHEALDH1A1NPC1RAB9A
SCHEMBL418210 0.84 ACHE (0.40) ACHEBCHEALDH1A1SLC6A2SLC6A4
SCHEMBL414300 0.84 BCHE (0.48) ACHEBCHEALDH1A1NPC1RAB9A
SCHEMBL415391 0.83 ALDH1A1 (0.40) ACHEBCHEALDH1A1SLC6A2SLC6A4
SCHEMBL413187 0.83 L3MBTL1 (0.41) ACHEBCHEALDH1A1NPC1RAB9A
SCHEMBL416332 0.83 BCHE (0.49) ACHEBCHEALDH1A1NPC1RAB9A
SCHEMBL414368 0.82 ALDH1A1 (0.40) ACHEBCHEALDH1A1NPC1RAB9A

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.