SCHEMBL3054154

SCHEMBL3054154

O=C1CCCN1c1ccc(S(=O)(=O)N2CCCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
AKR1C3 P42330 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
RAB9A P51151 1/20 0.42
GPR174 Q9BXC1 1/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 2/20 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
SCHEMBL3057483 0.86 HSD11B1 (0.43) MEN1KMT2ASMN1; SMN2LMNAGPR174
SCHEMBL3051687 0.84 GPR174 (0.39) MEN1KMT2ASMN1; SMN2LMNAGPR174
SCHEMBL3067129 0.84 HSD11B1 (0.48) KMT2ASMN1; SMN2LMNAGPR174TP53
SCHEMBL3057085 0.84 MAPT (0.48) L3MBTL1KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL3058869 0.84 SMN1; SMN2 (0.43) MEN1KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL3045260 0.82 PKM (0.44) MEN1KMT2AALDH1A1HSD11B1
SCHEMBL3060337 0.82 GPR174 (0.41) MEN1KMT2ASMN1; SMN2LMNAGPR174
SCHEMBL3053402 0.81 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL3065016 0.80 ALDH1A1 (0.39) L3MBTL1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3056021 0.80 ALDH1A1 (0.52) L3MBTL1MEN1KMT2ATSHRSMN1; SMN2

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 791/4885MEN1 799/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 L3MBTL1 791/4885MEN1 799/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 L3MBTL1 791/4885MEN1 799/4885KMT2A 1844/4885

“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.