SCHEMBL1019637

SCHEMBL1019637

CCC(CN)Nc1nc(Cc2cccc(C)c2)ns1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HTR6 P50406 1/20 0.38
LTA4H P09960 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
NR3C2 P08235 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MPO P05164 1/20 0.33
AR P10275 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
IDO1 P14902 2/20 0.33
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1020770 0.91 ALDH1A1 (0.38) ALDH1A1LMNAHTR6LTA4HTAAR1
SCHEMBL1020848 0.91 ALDH1A1 (0.38) ALDH1A1LMNAHTR6LTA4HTAAR1
SCHEMBL1021871 0.88 NPC1 (0.39) LMNAHTR6TAAR1HTR2CHTR2B
SCHEMBL1021452 0.86 CNR1 (0.33) ALDH1A1LMNAHTR6LTA4HAR
SCHEMBL1019518 0.86 NPC1 (0.42) ALDH1A1HTR6LTA4HTAAR1TLR8
SCHEMBL1019774 0.83 MPO (0.35) MPO
SCHEMBL1021316 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHTR6LTA4HTAAR1
SCHEMBL1021673 0.81 TAAR1 (0.42) ALDH1A1LMNAHTR6LTA4HTAAR1
SCHEMBL1021489 0.81 ALDH1A1 (0.36) ALDH1A1HTR6HTR2CMAPK1KDM4E
SCHEMBL1020733 0.81 NPC1 (0.38) ALDH1A1LMNAHTR6MAPK1KDM4E

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 ALDH1A1 608/4885LMNA 1913/4885HTR6 2082/4885

“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.