SCHEMBL3055176

SCHEMBL3055176

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)C4CC4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
HTR6 P50406 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FAAH O00519 1/20 0.35
HTR7 P34969 1/20 0.34
CHRM4 P08173 1/20 0.34
HSD11B1 P28845 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 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
SCHEMBL3063230 0.95 CNR1 (0.48) CNR1HTR6MEN1KMT2ACYP17A1
SCHEMBL3055859 0.94 CNR1 (0.47) CNR1HTR6MEN1KMT2ACYP17A1
SCHEMBL3067470 0.90 CNR1 (0.47) CNR1HTR6MEN1KMT2ACYP17A1
SCHEMBL3049707 0.88 CETP (0.40) CNR1HTR6MEN1KMT2ACYP17A1
SCHEMBL3055668 0.88 CYP17A1 (0.43) CNR1HTR6CYP17A1CYP21A2CYP3A4
SCHEMBL3061707 0.87 CNR1 (0.46) CNR1HTR6TSHRCHRM4SMN1; SMN2
SCHEMBL3056235 0.86 CNR1 (0.46) CNR1HTR6CHRM4
SCHEMBL3046093 0.85 CNR1 (0.38) CNR1HTR6MEN1KMT2ACYP3A4
SCHEMBL3054590 0.84 CYP17A1 (0.39) CNR1HTR6CYP17A1CYP21A2CYP3A4
SCHEMBL3058172 0.84 CNR1 (0.38) CNR1HTR6MEN1KMT2ACYP17A1

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885HTR6 2304/4885MEN1 799/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885HTR6 2304/4885MEN1 799/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885HTR6 2304/4885MEN1 799/4885

“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.