SCHEMBL413387

SCHEMBL413387

C=CCOc1ccccc1CN(C)C(=O)CCCSc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.44
ACHE P22303 8/20 0.44
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GPX4 P36969 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
PPARD Q03181 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A9 P48067 1/20 0.35
LIG1 P18858 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
SCHEMBL418244 0.89 TSHR (0.41) MAPTL3MBTL1NPC1RAB9AMEN1
SCHEMBL414607 0.86 ACHE (0.45) BCHEACHEMAPTCHRM2CHRM1
SCHEMBL414273 0.86 BCHE (0.48) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL412451 0.85 ACHE (0.54) BCHEACHECHRM2CHRM1NPC1
SCHEMBL415178 0.83 BCHE (0.41) BCHEACHEMAPTL3MBTL1CHRM2
SCHEMBL418468 0.82 BCHE (0.43) BCHEACHEMAPTCHRM2CHRM1
SCHEMBL416307 0.81 RAB9A (0.41) BCHEACHECHRM2CHRM1NPC1
SCHEMBL416231 0.80 BCHE (0.47) BCHEACHEMAPTL3MBTL1CHRM2
SCHEMBL416480 0.80 BCHE (0.48) BCHEACHEMAPTL3MBTL1RAB9A
SCHEMBL415495 0.78 NPC1 (0.45) BCHEACHECHRM2CHRM1NPC1

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 BCHE 3039/4885ACHE 4296/4885MAPT 3216/4885

“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.