SCHEMBL1019214

SCHEMBL1019214

CN(CCN)c1nc(Cc2cccc(F)c2)ns1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.37
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ENPP1 P22413 1/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MPO P05164 1/20 0.34
GBA1 P04062 1/20 0.34
ROCK1 Q13464 2/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33

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
SCHEMBL1021224 0.87 TAAR1 (0.46) HTR6TAAR1L3MBTL1ALDH1A1HTR2C
SCHEMBL1020890 0.86 TAAR1 (0.41) HTR6TAAR1L3MBTL1ALDH1A1HTR2C
SCHEMBL1020728 0.85 AOC3 (0.36) HTR6TAAR1ALDH1A1HTR2CHTR2B
SCHEMBL1022394 0.84 CARM1 (0.41) HTR6TAAR1L3MBTL1ALDH1A1HTR2C
SCHEMBL1019394 0.83 TAAR1 (0.45) HTR6TAAR1L3MBTL1ALDH1A1GBA1
SCHEMBL1019453 0.83 MPO (0.37) NOS1NOS2MPO
SCHEMBL1019764 0.79 AOC3 (0.40) HTR6TAAR1L3MBTL1ALDH1A1HTR2C
SCHEMBL1021875 0.78 HTR6 (0.35) HTR6TAAR1L3MBTL1HTR2CHTR2B
SCHEMBL1020632 0.77 NPC1 (0.39) HTR6L3MBTL1ALDH1A1GBA1
SCHEMBL1021400 0.77 AOC3 (0.36) HTR6TAAR1L3MBTL1ALDH1A1HTR2B

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 HTR6 2082/4885TAAR1 2621/4885L3MBTL1 1449/4885

“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.