SCHEMBL415178

SCHEMBL415178

CNC(=O)COc1ccccc1CN(C)C(=O)CCCSc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.41
ACHE P22303 7/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL414607 0.85 ACHE (0.45) BCHEACHELMNAALDH1A1MAPT
SCHEMBL414273 0.85 BCHE (0.48) BCHEACHELMNAALDH1A1CHRM2
SCHEMBL412451 0.84 ACHE (0.54) BCHEACHELMNANPC1RAB9A
SCHEMBL413387 0.83 BCHE (0.44) BCHEACHELMNAALDH1A1MAPT
SCHEMBL418468 0.82 BCHE (0.43) BCHEACHELMNAALDH1A1MAPT
SCHEMBL416307 0.80 RAB9A (0.41) BCHEACHELMNAALDH1A1NPC1
SCHEMBL416231 0.79 BCHE (0.47) BCHEACHELMNAALDH1A1MAPT
SCHEMBL416480 0.79 BCHE (0.48) BCHEACHELMNAALDH1A1MAPT
SCHEMBL413391 0.78 ACHE (0.49) BCHEACHELMNAGAACHRM2
SCHEMBL415495 0.77 NPC1 (0.45) BCHEACHENPC1RAB9ACHRM2

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 4296/4885LMNA 3529/4885

“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.