SCHEMBL414460

SCHEMBL414460

COC(=O)c1ccc(SCCCC(=O)N(C)Cc2ccccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.51
BCHE P06276 8/20 0.51
CHRM2 P08172 2/20 0.51
CHRM1 P11229 1/20 0.51
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL417559 0.90 ACHE (0.52) ACHEBCHECHRM2CHRM1GAA
SCHEMBL414627 0.90 MEN1 (0.43) ACHEBCHECHRM2CHRM1TDP1
SCHEMBL413391 0.90 ACHE (0.49) ACHEBCHECHRM2CHRM1GAA
SCHEMBL412451 0.88 ACHE (0.54) ACHEBCHECHRM2CHRM1GAA
SCHEMBL415188 0.88 ACHE (0.54) ACHEBCHECHRM2CHRM1GAA
SCHEMBL413455 0.88 ACHE (0.54) ACHEBCHECHRM2CHRM1GAA
SCHEMBL416303 0.86 NPC1 (0.53) ACHEBCHECHRM2CHRM1GAA
SCHEMBL415638 0.85 ACHE (0.56) ACHEBCHECHRM2CHRM1GAA
SCHEMBL417417 0.85 ACHE (0.48) ACHEBCHEGAATDP1MEN1
SCHEMBL417570 0.84 ACHE (0.50) ACHEBCHECHRM2CHRM1GAA

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 3039/4885CHRM2 4772/4885

“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.