SCHEMBL3064321

SCHEMBL3064321

CN(C)c1ccc(NC(=O)N2CCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.54
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL3065025 0.88 ALDH1A1 (0.54) FAAHKMT2A
SCHEMBL3059352 0.86 FAAH (0.54) FAAH
SCHEMBL3056610 0.82 FAAH (0.61) FAAHMEN1GAAKMT2ACNR1
SCHEMBL3053774 0.81 FAAH (0.47) FAAHMEN1KMT2A
SCHEMBL3061169 0.79 FAAH (0.50) FAAHMEN1TP53GAAKMT2A
SCHEMBL3066837 0.78 FAAH (0.51) FAAHTP53
SCHEMBL3066238 0.78 FAAH (0.43) FAAHCNR1
SCHEMBL3054580 0.77 FAAH (0.48) FAAHCNR1
SCHEMBL3050967 0.76 FAAH (0.56) FAAHMEN1TP53GAAKMT2A
SCHEMBL13817559 0.76 FAAH (0.80) FAAH

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 FAAH 2797/4885MEN1 799/4885TP53 4360/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MEN1 799/4885TP53 4360/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MEN1 799/4885TP53 4360/4885

“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.