SCHEMBL3053402

SCHEMBL3053402

CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 10/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 5/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3058518 0.89 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3057483 0.88 HSD11B1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3067129 0.85 HSD11B1 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL3058869 0.84 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3057085 0.84 MAPT (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL3063806 0.82 TP53 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3067199 0.82 PKM (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3045260 0.82 PKM (0.44) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL3060337 0.82 GPR174 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3056021 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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 ALDH1A1 1930/4885SMN1; SMN2 4/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885KMT2A 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.