SCHEMBL3067141

SCHEMBL3067141

CC1CN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
DPP4 P27487 1/20 0.38
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PIN1 Q13526 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ENPP1 P22413 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL3058468 0.85 DPP4 (0.48) MAPTALDH1A1DPP4CASP1CASP4
SCHEMBL2008870 0.83 HTR6 (0.39) MAPTACHELMNAKMT2AMEN1
SCHEMBL2007117 0.82 HTR6 (0.40) ALDH1A1POLBPIN1
SCHEMBL3066582 0.81 DPP4 (0.45) MAPTALDH1A1LMNADPP4CASP1
SCHEMBL2005103 0.80 HTR6 (0.42) MAPTSIGMAR1CYP2C19
SCHEMBL2006897 0.79 KHK (0.41) LMNAPIN1SIGMAR1
SCHEMBL3063693 0.76 PKM (0.44) MAPTACHEALDH1A1LMNAKMT2A
SCHEMBL3062098 0.76 TACR3 (0.40) ALDH1A1
SCHEMBL3059806 0.74 ACHE (0.39) ACHEALDH1A1LMNAKMT2AMEN1
SCHEMBL3050835 0.74 GSK3B (0.41) MAPTALDH1A1LMNAKDM4ECYP1A2

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 MAPT 9/4885ACHE 2964/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ACHE 2964/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ACHE 2964/4885ALDH1A1 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.