SCHEMBL3054580

SCHEMBL3054580

O=C(Nc1ccc(-c2ccccc2)s1)N1CCCN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR1 P21554 1/20 0.46
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3056610 0.77 FAAH (0.61) FAAHPOLBMAPTMAPK1CNR1
SCHEMBL3064321 0.77 FAAH (0.54) FAAHCNR1
SCHEMBL3065025 0.77 ALDH1A1 (0.54) FAAHMAPT
SCHEMBL3059352 0.77 FAAH (0.54) FAAH
SCHEMBL3053774 0.76 FAAH (0.47) FAAHMAPK1
SCHEMBL3061169 0.76 FAAH (0.50) FAAHMAPTMAPK1
SCHEMBL3066837 0.75 FAAH (0.51) FAAHPOLBMAPT
SCHEMBL3066238 0.75 FAAH (0.43) FAAHMAPTCNR1GALR3NR2F2
SCHEMBL3055840 0.75 CNR2 (0.42) FAAHPOLBMAPTMAPK1CNR1
SCHEMBL3066582 0.71 DPP4 (0.45) POLBMAPTMAPK1

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 2797/4885POLB 3933/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885POLB 3933/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885POLB 3933/4885MAPT 9/4885

“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.