SCHEMBL416849

SCHEMBL416849

COc1ccccc1CN(C(=O)CCCSc1ccc(OC(=O)c2ccc(SCCCC(=O)N(C)Cc3ccccc3C(F)(F)F)cc2)cc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.37
BCHE P06276 7/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EPHX2 P34913 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL417417 0.81 ACHE (0.48) ACHEBCHESLC6A2SLC6A4TDP1
SCHEMBL415634 0.78 MC4R (0.42) ACHEBCHECHRM2CHRM1
SCHEMBL414460 0.78 ACHE (0.51) ACHEBCHECHRM2CHRM1TDP1
SCHEMBL417570 0.77 ACHE (0.50) ACHEBCHECHRM2CHRM1SLC6A2
SCHEMBL415188 0.77 ACHE (0.54) ACHEBCHECHRM2CHRM1SLC6A2
SCHEMBL416389 0.76 ACHE (0.50) ACHEBCHESLC6A2SLC6A4TDP1
SCHEMBL417559 0.75 ACHE (0.52) ACHEBCHECHRM2CHRM1TDP1
SCHEMBL412451 0.75 ACHE (0.54) ACHEBCHECHRM2CHRM1TDP1
SCHEMBL413023 0.74 ACHE (0.52) ACHEBCHESLC6A2SLC6A4SLC6A3
SCHEMBL413455 0.73 ACHE (0.54) ACHEBCHECHRM2CHRM1TDP1

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 1 patent. 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

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.