SCHEMBL3060349

SCHEMBL3060349

Cc1c(C(=O)Cl)csc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 3/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
BLM P54132 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12262070 0.84 TSHR (0.46) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL12262069 0.79 L3MBTL1 (0.43) RAB9ANPC1TDP1ALDH1A1GSK3B
SCHEMBL16212756 0.79 PDGFRB (0.40) RAB9ANPC1TDP1ALDH1A1GSK3B
SCHEMBL11641919 0.76 RAB9A (0.40) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL12262068 0.71 CYP1A2 (0.38) TDP1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL18430454 0.71 TDP1 (0.45) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL753662 0.70 TSHR (0.38) TDP1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL18830908 0.69 TDP1 (0.38) TDP1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL28208391 0.69 TDP1 (0.34) TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL27470744 0.68 TDP1 (0.38) RAB9ANPC1TDP1ALDH1A1GSK3B

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 RAB9A 2845/4885NPC1 77/4885TDP1 47/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885NPC1 77/4885TDP1 47/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885NPC1 77/4885TDP1 47/4885

“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.