SCHEMBL1020113

SCHEMBL1020113

Cc1ccc(Cc2nsc(NCCC(C)N)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR6 P50406 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1021021 0.89 ALDH1A1 (0.36) CNR1NPC1RAB9AHTR6ALDH1A1
SCHEMBL1021138 0.89 SLC6A2 (0.39) NPC1RAB9AHTR6ALDH1A1LMNA
SCHEMBL1022060 0.88 HRH3 (0.40) CNR1NPC1RAB9AHTR6LTA4H
SCHEMBL1021104 0.87 GBA1 (0.38) CNR1NPC1RAB9AHTR6LTA4H
SCHEMBL1020400 0.86 SLC6A4 (0.41) NPC1RAB9AHTR6LTA4HALDH1A1
SCHEMBL1021317 0.85 ALDH1A1 (0.39) NPC1RAB9AHTR6LTA4HALDH1A1
SCHEMBL1024188 0.84 SMN1; SMN2 (0.37) CNR1NPC1RAB9AHTR6LTA4H
SCHEMBL1020409 0.83 MPO (0.35)
SCHEMBL1020487 0.82 NPC1 (0.37) CNR1NPC1RAB9AHTR6LTA4H
SCHEMBL1020945 0.82 SYK (0.36) CNR1NPC1RAB9AHTR6LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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 (1 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CNR1 3094/4885NPC1 777/4885RAB9A 1244/4885

“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.