SCHEMBL1018376

SCHEMBL1018376

CNCCN(C)c1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
NOS2 P35228 7/20 0.34
NOS1 P29475 4/20 0.34
HTR6 P50406 1/20 0.33
AOC3 Q16853 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1021051 0.88 CARM1 (0.35) NOS2NOS1HTR6
SCHEMBL1021422 0.87 TAAR1 (0.41) TAAR1NOS2NOS1HTR6AOC3
SCHEMBL1022413 0.86 ATM (0.38) TAAR1NOS2NOS1
SCHEMBL1020728 0.85 AOC3 (0.36) TAAR1NOS2HTR6AOC3MAPK1
SCHEMBL1021224 0.85 TAAR1 (0.46) TAAR1NOS2NOS1HTR6
SCHEMBL13098768 0.85 TAAR1 (0.39) TAAR1NOS2HTR6SMN1; SMN2MAPK1
SCHEMBL1020159 0.85 NOS2 (0.48) NOS2HTR6AOC3SMN1; SMN2MAPK1
SCHEMBL1019346 0.84 MPO (0.34) NOS2NOS1
SCHEMBL1019398 0.80 TAAR1 (0.43) TAAR1HTR6AOC3
SCHEMBL1020706 0.79 ALDH1A1 (0.55) NOS2SMN1; SMN2

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 TAAR1 2621/4885NOS2 3358/4885NOS1 2433/4885

“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.