SCHEMBL3058864

SCHEMBL3058864

COc1cccc(Cc2nsc(N3CCN(C(=O)Nc4cccc(C#N)c4)CC3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.59
MAPK1 P28482 5/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RY12 Q9H244 2/20 0.47
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3063843 0.85 FAAH (0.56) FAAHMAPK1MAPTALDH1A1HTT
SCHEMBL12569103 0.85 FAAH (0.54) FAAHMAPK1ALDH1A1TSHRUSP2
SCHEMBL3050967 0.83 FAAH (0.56) FAAHMAPK1MAPTALDH1A1HTT
SCHEMBL3067175 0.83 FAAH (0.56) FAAHMAPK1MAPTALDH1A1HTT
SCHEMBL3065676 0.83 FAAH (0.56) FAAHMAPK1MAPTALDH1A1HTT
SCHEMBL3045290 0.82 MAPT (0.65) FAAHMAPK1MAPTALDH1A1CYP3A4
SCHEMBL3058367 0.81 FAAH (0.61) FAAHMAPK1MAPTALDH1A1HTT
SCHEMBL3056905 0.80 FAAH (0.60) FAAHMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3055673 0.79 FAAH (0.51) FAAHMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3053774 0.78 FAAH (0.47) FAAHMAPK1ALDH1A1TSHRCYP3A4

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 2797/4885MAPK1 1449/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPK1 1449/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPK1 1449/4885MAPT 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.