SCHEMBL3044774

SCHEMBL3044774

Cc1nc(-c2cccc(C(=O)N3CCN(c4nc(C5(c6ccccc6)CCC(=O)CC5)ns4)CC3)c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 7/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.41
RHOA P61586 1/20 0.40
HPGD P15428 1/20 0.39
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
SLC6A7 Q99884 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3058469 0.85 FAAH (0.49) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL3068161 0.83 RAB9A (0.38) MGLLALDH1A1MAPK1LMNAMAPT
SCHEMBL3063959 0.81 GRM5 (0.43) MGLLALDH1A1MAPK1LMNAMAPT
SCHEMBL3059313 0.80 ABL1 (0.47) MGLLALDH1A1MAPK1LMNAMAPT
SCHEMBL3063168 0.79 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL3060855 0.79 OPRD1 (0.45) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL3055722 0.78 MGLL (0.51) MGLLALDH1A1FAAHRAB9ANPC1
SCHEMBL3055766 0.77 ALDH1A1 (0.57) MGLLALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL3045491 0.77 SLC6A7 (0.44) MGLLALDH1A1MAPTFAAHHPGD
SCHEMBL3060406 0.74 MMP1 (0.41) MGLLALDH1A1MAPK1LMNAMAPT

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 MGLL 3668/4885ALDH1A1 1930/4885MAPK1 1449/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885ALDH1A1 1930/4885MAPK1 1449/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885ALDH1A1 1930/4885MAPK1 1449/4885

“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.