SCHEMBL3044491

SCHEMBL3044491

O=C(O)c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 2/20 0.39
GPR174 Q9BXC1 1/20 0.39
MAPK1 P28482 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HDAC3 O15379 1/20 0.37

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
SCHEMBL3051398 0.88 AKR1C3 (0.51) SMN1; SMN2ALDH1A1GAANPC1HTT
SCHEMBL3049255 0.81 CNR1 (0.44) L3MBTL1GAAHTTPKMKMT2A
SCHEMBL3057483 0.80 HSD11B1 (0.43) SMN1; SMN2ALDH1A1GAAHTTPKM
SCHEMBL3058869 0.80 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAAHTTKMT2A
SCHEMBL3058518 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAAKMT2AMAPT
SCHEMBL3062177 0.79 KMT2A (0.42) L3MBTL1SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL3053402 0.79 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAAHTTKDM4E
SCHEMBL3063806 0.78 TP53 (0.48) SMN1; SMN2ALDH1A1NOD1KDM4EKMT2A
SCHEMBL3057085 0.78 MAPT (0.48) L3MBTL1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL3067129 0.78 HSD11B1 (0.48) SMN1; SMN2ALDH1A1GAAHTTKDM4E

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 L3MBTL1 791/4885SMN1; SMN2 4/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 L3MBTL1 791/4885SMN1; SMN2 4/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 L3MBTL1 791/4885SMN1; SMN2 4/4885ALDH1A1 1930/4885

“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.