SCHEMBL3059313

SCHEMBL3059313

O=C1CCC(c2ccccc2)(c2nsc(N3CCN(C(=O)c4ccc(-c5cccs5)cc4)CC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.47
BCR P11274 4/20 0.47
SLC6A7 Q99884 1/20 0.44
TACR3 P29371 11/20 0.44
GBA1 P04062 2/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KCNH2 Q12809 2/20 0.40
ERG P11308 1/20 0.40
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL3066638 0.86 LMNA (0.41) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3060855 0.83 OPRD1 (0.45) SLC6A7ALDH1A1LMNAMAPTMAPK1
SCHEMBL3045491 0.83 SLC6A7 (0.44) SLC6A7MGLLALDH1A1MAPT
SCHEMBL3055722 0.83 MGLL (0.51) SLC6A7MGLLALDH1A1
SCHEMBL3068834 0.81 MEN1 (0.41) SLC6A7MGLL
SCHEMBL3044774 0.80 MGLL (0.44) SLC6A7MGLLALDH1A1LMNAMAPT
SCHEMBL3063959 0.80 GRM5 (0.43) SLC6A7CYP3A4MGLLALDH1A1LMNA
SCHEMBL3055766 0.79 ALDH1A1 (0.57) MGLLALDH1A1MAPTSMN1; SMN2
SCHEMBL3067188 0.78 MGLL (0.53) SLC6A7CYP3A4CYP2C9CYP2C19MGLL
SCHEMBL3064214 0.75 KMT2A (0.41) CYP2C9CYP2C19ALDH1A1LMNAMAPT

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 ABL1 1443/4885BCR 2995/4885SLC6A7 1889/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ABL1 1443/4885BCR 2995/4885SLC6A7 1889/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ABL1 1443/4885BCR 2995/4885SLC6A7 1889/4885

“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.