SCHEMBL3067129

SCHEMBL3067129

Cc1ccc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(Cc5ccccc5[N+](=O)[O-])ns4)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
GPR174 Q9BXC1 3/20 0.46
PKM P14618 3/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3057483 0.91 HSD11B1 (0.43) HSD11B1GPR174PKMALDH1A1LMNA
SCHEMBL3060337 0.89 GPR174 (0.41) HSD11B1GPR174ALDH1A1LMNAMAPT
SCHEMBL3056021 0.89 ALDH1A1 (0.52) HSD11B1GPR174ALDH1A1LMNAMAPT
SCHEMBL3058869 0.86 SMN1; SMN2 (0.43) HSD11B1GPR174ALDH1A1LMNAMAPT
SCHEMBL3057085 0.86 MAPT (0.48) HSD11B1GPR174ALDH1A1LMNAMAPT
SCHEMBL3065016 0.86 ALDH1A1 (0.39) HSD11B1GPR174PKMALDH1A1LMNA
SCHEMBL3053402 0.85 ALDH1A1 (0.61) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL3045260 0.84 PKM (0.44) HSD11B1PKMALDH1A1HTTPOLB
SCHEMBL3054154 0.84 L3MBTL1 (0.51) HSD11B1GPR174ALDH1A1LMNASMN1; SMN2
SCHEMBL3051687 0.84 GPR174 (0.39) HSD11B1GPR174PKMALDH1A1LMNA

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 HSD11B1 136/4885GPR174 3387/4885PKM 1944/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD11B1 136/4885GPR174 3387/4885PKM 1944/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD11B1 136/4885GPR174 3387/4885PKM 1944/4885

“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.