SCHEMBL1018342

SCHEMBL1018342

Cc1cccc(Cc2nsc(NCCCCN)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TLR8 Q9NR97 1/20 0.39
HTR6 P50406 1/20 0.38
LTA4H P09960 1/20 0.37
THRB P10828 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KARS1 Q15046 1/20 0.34

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
SCHEMBL1022387 0.99 ALDH1A1 (0.39) ALDH1A1LMNATLR7TAAR1TLR8
SCHEMBL1020022 0.99 ALDH1A1 (0.39) ALDH1A1LMNATLR7TAAR1TLR8
SCHEMBL1020304 0.96 ALDH1A1 (0.40) ALDH1A1LMNATLR7TAAR1TLR8
SCHEMBL1021673 0.91 TAAR1 (0.42) ALDH1A1LMNATLR7TAAR1TLR8
SCHEMBL1021355 0.88 ALDH1A1 (0.43) ALDH1A1LMNATLR7TAAR1TLR8
SCHEMBL1019075 0.86 TAAR1 (0.44) TLR7TAAR1TLR8HTR6LTA4H
SCHEMBL1023535 0.86 TAAR1 (0.39) TLR7TAAR1TLR8HTR6HTR2C
SCHEMBL1020799 0.85 CHRM2 (0.44) ALDH1A1TLR7TAAR1TLR8HTR6
SCHEMBL1020605 0.85 CHRM2 (0.44) ALDH1A1TLR7TAAR1TLR8HTR6
SCHEMBL1021399 0.85 SYK (0.38) ALDH1A1LMNATLR7TAAR1TLR8

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 1913/4885TLR7 4508/4885

“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.