SCHEMBL3066601

SCHEMBL3066601

COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
CLK1 P49759 1/20 0.40
TSHR P16473 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
SCHEMBL3067199 0.83 PKM (0.41) MAPTGAASMN1; SMN2LMNAKMT2A
SCHEMBL3051158 0.82 RAB9A (0.50) GAASMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3063191 0.79 RAB9A (0.47) GAASMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3051398 0.77 AKR1C3 (0.51) MAPTGAASMN1; SMN2KMT2AMEN1
SCHEMBL3045260 0.77 PKM (0.44) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL3044491 0.75 L3MBTL1 (0.42) MAPTGAASMN1; SMN2LMNAKMT2A
SCHEMBL3050835 0.75 GSK3B (0.41) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL3053402 0.74 ALDH1A1 (0.61) MAPTGAASMN1; SMN2LMNAKMT2A
SCHEMBL3057483 0.74 HSD11B1 (0.43) MAPTGAASMN1; SMN2LMNAKMT2A
SCHEMBL3067145 0.73 KMT2A (0.47) MAPTSMN1; SMN2KMT2AMEN1POLB

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 MAPT 9/4885GAA 203/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885GAA 203/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885GAA 203/4885SMN1; SMN2 4/4885

“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.