SCHEMBL1021224

SCHEMBL1021224

CNCCN(C)c1nc(Cc2cccc(F)c2)ns1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.39
HTR6 P50406 1/20 0.38
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
ENPP1 P22413 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CARM1 Q86X55 3/20 0.36
PRMT6 Q96LA8 3/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
NPC1 O15118 1/20 0.33
GBA1 P04062 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RIPK1 Q13546 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
SCHEMBL1019214 0.87 HTR6 (0.41) TAAR1L3MBTL1HTR6NOS1NOS2
SCHEMBL1022538 0.87 NOS1 (0.42) HTR6NOS1NOS2ENPP1ALDH1A1
SCHEMBL1018376 0.85 TAAR1 (0.41) TAAR1HTR6NOS1NOS2
SCHEMBL1022413 0.85 ATM (0.38) TAAR1L3MBTL1NOS1NOS2ALDH1A1
SCHEMBL1020554 0.84 CHRM2 (0.48) L3MBTL1HTR6NOS2ENPP1ALDH1A1
SCHEMBL1019346 0.82 MPO (0.34) NOS1NOS2
SCHEMBL1022901 0.80 ALDH1A1 (0.44) HTR6ALDH1A1HTR2C
SCHEMBL1021051 0.79 CARM1 (0.35) HTR6NOS1NOS2CARM1
SCHEMBL1019398 0.78 TAAR1 (0.43) TAAR1L3MBTL1HTR6ALDH1A1CARM1
SCHEMBL1021422 0.78 TAAR1 (0.41) TAAR1L3MBTL1HTR6NOS1NOS2

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 2621/4885L3MBTL1 1449/4885HTR6 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.