SCHEMBL2405482

SCHEMBL2405482

COc1ccc(C(CC2CC2)C(N)=O)cc1SC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
ACHE P22303 1/20 0.36
AR P10275 2/20 0.35
CTSD P07339 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL2403528 0.87 ACHE (0.47) PDE4BACHECTSDALDH1A1NPSR1
SCHEMBL2406045 0.84 PDE4B (0.40) PDE4BACHECTSD
SCHEMBL2404782 0.81 PDE4B (0.47) PDE4BALDH1A1
SCHEMBL2404081 0.81 BLM (0.49) ACHEMEN1KMT2AALDH1A1NPSR1
SCHEMBL2408909 0.81 PDE4B (0.39) PDE4BARMEN1KMT2A
SCHEMBL2405230 0.81 MAPK1 (0.51) PDE4BACHEMEN1KMT2AALDH1A1
SCHEMBL2406182 0.81 PDE4B (0.42) PDE4BACHE
SCHEMBL2410391 0.80 PDE4B (0.46) PDE4BACHE
SCHEMBL2403865 0.77 TDP1 (0.42) KMT2A
SCHEMBL2405258 0.76 CA1 (0.42) KMT2A

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 PDE4B 822/4885ACHE 1608/4885AR 551/4885

“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.