SCHEMBL417646

SCHEMBL417646

COc1ccccc1CN(C)C(=O)CCCSc1ccc(F)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.48
BCHE P06276 8/20 0.48
CHRM2 P08172 2/20 0.47
CHRM1 P11229 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
TSPO P30536 3/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL413450 0.91 ACHE (0.47) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL417459 0.89 ACHE (0.50) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL418099 0.87 ACHE (0.48) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL417326 0.83 ACHE (0.50) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL412451 0.82 ACHE (0.54) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL414656 0.80 ACHE (0.54) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL415495 0.79 NPC1 (0.45) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL414457 0.79 ACHE (0.50) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL417559 0.79 ACHE (0.52) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL415653 0.77 ACHE (0.47) ACHEBCHECHRM2CHRM1MEN1

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 4 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-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.