SCHEMBL3053774

SCHEMBL3053774

N#Cc1cccc(NC(=O)N2CCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.42
P2RY12 Q9H244 1/20 0.42
CYP2D6 P10635 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 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 0.83 ALDH1A1 (0.54) FAAHKMT2AALDH1A1
SCHEMBL3061169 0.82 FAAH (0.50) FAAHMEN1KMT2AHSD17B10MAPK1
SCHEMBL3066837 0.81 FAAH (0.51) FAAH
SCHEMBL3064321 0.81 FAAH (0.54) FAAHMEN1KMT2A
SCHEMBL3059352 0.81 FAAH (0.54) FAAH
SCHEMBL12569103 0.81 FAAH (0.54) FAAHHIF1AP2RY12CYP2D6HSD17B10
SCHEMBL3056610 0.78 FAAH (0.61) FAAHMEN1KMT2AMAPK1ALDH1A1
SCHEMBL3058864 0.78 FAAH (0.59) FAAHP2RY12CYP2D6HSD17B10MAPK1
SCHEMBL3766126 0.78 FAAH (0.76) FAAH
SCHEMBL3062177 0.77 KMT2A (0.42) MEN1KMT2AHSD17B10MAPK1ALDH1A1

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 799/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MEN1 799/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MEN1 799/4885KMT2A 1844/4885

“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.