SCHEMBL414738

SCHEMBL414738

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.49
TDP1 Q9NUW8 1/20 0.44
BCHE P06276 7/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SNCA P37840 1/20 0.41
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSPO P30536 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 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
SCHEMBL412451 0.85 ACHE (0.54) ACHETDP1BCHECHRM2CHRM1
SCHEMBL415376 0.81 ACHE (0.51) ACHEBCHECHRM2CHRM1NPC1
SCHEMBL417570 0.79 ACHE (0.50) ACHETDP1BCHECHRM2CHRM1
SCHEMBL417832 0.79 ACHE (0.54) ACHEBCHECHRM2CHRM1LMNA
SCHEMBL415495 0.77 NPC1 (0.45) ACHETDP1BCHECHRM2CHRM1
SCHEMBL417767 0.77 ACHE (0.47) ACHEBCHECHRM2CHRM1LMNA
SCHEMBL415188 0.76 ACHE (0.54) ACHETDP1BCHECHRM2CHRM1
SCHEMBL413455 0.76 ACHE (0.54) ACHETDP1BCHECHRM2CHRM1
SCHEMBL414275 0.76 TDP1 (0.48) TDP1NPC1RAB9ALMNACASP3
SCHEMBL414457 0.75 ACHE (0.50) ACHETDP1BCHECHRM2CHRM1

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 4296/4885TDP1 4076/4885BCHE 3039/4885

“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.