SCHEMBL1020832

SCHEMBL1020832

COc1ccccc1Cc1nsc(NCCCCCN)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.51
BCHE P06276 5/20 0.41
ACHE P22303 5/20 0.41
CHRM4 P08173 5/20 0.41
CHRM5 P08912 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
RECQL P46063 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL1020713 1.00 CHRM2 (0.51) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL1020925 0.99 CHRM2 (0.49) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL1021306 0.95 CHRM2 (0.44) CHRM2BCHEACHEGRIN1GRIN2A
SCHEMBL1021201 0.91 TAAR1 (0.43) CHRM2TSHRMAPTTDP1TAAR1
SCHEMBL1020411 0.87 HTR6 (0.40) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL1021184 0.85 CHRM2 (0.38) CHRM2ACHECYP3A4CYP2D6TAAR1
SCHEMBL1019285 0.85 CHRM2 (0.38) CHRM2ACHECYP3A4CYP2D6TAAR1
SCHEMBL1020808 0.83 TLR8 (0.37) CHRM2ACHECYP3A4CYP2D6TAAR1
SCHEMBL1022332 0.83 CDK7 (0.38) ACHETAAR1TLR7TLR8
SCHEMBL1020624 0.83 CDK7 (0.38) ACHETAAR1TLR7TLR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CHRM2 3891/4885BCHE 1848/4885ACHE 524/4885

“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.