SCHEMBL10247673

SCHEMBL10247673

COc1ccccc1CN(C)C(=O)CCCSc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.52
ACHE P22303 8/20 0.52
CHRM2 P08172 2/20 0.52
CHRM1 P11229 1/20 0.52
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL415612 0.85 ACHE (0.48) BCHEACHECHRM2CHRM1RAB9A
SCHEMBL414416 0.83 ACHE (0.48) BCHEACHECHRM2CHRM1RAB9A
SCHEMBL414451 0.83 BCHE (0.46) BCHEACHECHRM2CHRM1RAB9A
SCHEMBL419503 0.82 ACHE (0.52) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL413455 0.80 ACHE (0.54) BCHEACHECHRM2CHRM1GAA
SCHEMBL414656 0.80 ACHE (0.54) BCHEACHECHRM2CHRM1GAA
SCHEMBL415188 0.80 ACHE (0.54) BCHEACHECHRM2CHRM1RAB9A
SCHEMBL412451 0.80 ACHE (0.54) BCHEACHECHRM2CHRM1RAB9A
SCHEMBL415222 0.79 ACHE (0.63) BCHEACHECHRM2CHRM1GAA
SCHEMBL413418 0.78 ACHE (0.52) BCHEACHECHRM2CHRM1ALDH1A1

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 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 4296/4885CHRM2 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.