SCHEMBL1021912

SCHEMBL1021912

CCNCCN(CC)c1nc(Cc2ccc(OC)cc2)ns1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AOC3 Q16853 1/20 0.34
MAPT P10636 4/20 0.34
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MPI P34949 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GAA P10253 1/20 0.33
HTR6 P50406 1/20 0.33
LTA4H P09960 2/20 0.33
TSHR P16473 1/20 0.33
PRMT1 Q99873 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL1020900 0.87 CNR2 (0.32) NOS2HTR6
SCHEMBL1019787 0.87 CHRM2 (0.39) AOC3HTR6LTA4HNPC1
SCHEMBL1020636 0.86 LMNA (0.36) NOS2ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL1022342 0.86 CNR2 (0.33) ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL1019432 0.86 PDE4A (0.34) TSHR
SCHEMBL1021141 0.80 CHRM2 (0.39) CYP2D6MAPK1HTR6TSHR
SCHEMBL1020504 0.79 MPO (0.32)
SCHEMBL1021579 0.79 HTR6 (0.34) ALDH1A1LMNAMAPTKDM4EHTR6
SCHEMBL1022774 0.78 L3MBTL1 (0.37) NOS2ALDH1A1LMNAL3MBTL1HTR6
SCHEMBL13098771 0.78 CHRM2 (0.46) AOC3HTR6LTA4HNPC1

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 NOS2 3358/4885ALDH1A1 608/4885LMNA 1913/4885

“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.