SCHEMBL3055699

SCHEMBL3055699

CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4nc(C(Cc5ccc(N(C)C)cc5)c5ccc(N)cc5)ns4)CC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
TNF P01375 2/20 0.45
NOD2 Q9HC29 2/20 0.45
NOD1 Q9Y239 2/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
PTPN11 Q06124 5/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3061039 0.89 TP53 (0.35) TP53KMT2APOLBPTPN11
SCHEMBL3045584 0.84 ALDH1A1 (0.35) TP53MEN1ALDH1A1KMT2APOLB
SCHEMBL3063679 0.84 ACHE (0.42) MEN1ALDH1A1KMT2A
SCHEMBL3055757 0.83 ALDH1A1 (0.37) MEN1ALDH1A1KMT2ALMNA
SCHEMBL3064709 0.83 ALDH1A1 (0.46) TP53MEN1ALDH1A1KMT2APOLB
SCHEMBL3069190 0.83 KMT2A (0.46) MEN1ALDH1A1KMT2A
SCHEMBL3059848 0.82 GAA (0.38) MEN1ALDH1A1HPGDKMT2AMAPK1
SCHEMBL3056790 0.81 PKM (0.36) MEN1ALDH1A1HPGDKMT2A
SCHEMBL3059374 0.81 GBA1 (0.39) MEN1ALDH1A1HPGDKMT2AMAPK1
SCHEMBL3049552 0.81 THRB (0.38) MEN1ALDH1A1HPGDKMT2ALMNA

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 TP53 4360/4885TNF 3342/4885NOD2 2758/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TP53 4360/4885TNF 3342/4885NOD2 2758/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TP53 4360/4885TNF 3342/4885NOD2 2758/4885

“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.