SCHEMBL3055840

SCHEMBL3055840

CC(=O)C1CCN(C(=O)N2CCCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
CNR1 P21554 1/20 0.40
DPP4 P27487 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 2/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL3054580 0.75 FAAH (0.48) CNR1FAAHPOLBMAPTMAPK1
SCHEMBL3066582 0.74 DPP4 (0.45) DPP4KMT2AMEN1POLBMAPT
SCHEMBL3053402 0.74 ALDH1A1 (0.61) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL3056610 0.73 FAAH (0.61) CNR1KMT2AMEN1FAAHPOLB
SCHEMBL3058468 0.73 DPP4 (0.48) DPP4KMT2AMEN1POLBMAPT
SCHEMBL3057483 0.73 HSD11B1 (0.43) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL3065025 0.73 ALDH1A1 (0.54) KMT2AFAAHMAPTALDH1A1LMNA
SCHEMBL3064321 0.73 FAAH (0.54) CNR1KMT2AMEN1FAAH
SCHEMBL3045260 0.72 PKM (0.44) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3067199 0.72 PKM (0.41) KMT2AMEN1POLBMAPTMAPK1

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 CNR2 3397/4885CNR1 3782/4885DPP4 1124/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR2 3397/4885CNR1 3782/4885DPP4 1124/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR2 3397/4885CNR1 3782/4885DPP4 1124/4885

“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.