SCHEMBL1021422

SCHEMBL1021422

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
CARM1 Q86X55 1/20 0.36
PRMT1 Q99873 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NOS2 P35228 4/20 0.34
HTR6 P50406 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 1/20 0.33
AOC3 Q16853 1/20 0.33
ENPP1 P22413 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
NOS1 P29475 2/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 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) CARM1PRMT1NOS2HTR6NOS1
SCHEMBL1018376 0.87 TAAR1 (0.41) TAAR1NOS2HTR6MAPK1AOC3
SCHEMBL1022413 0.86 ATM (0.38) TAAR1SIGMAR1NOS2L3MBTL1NOS1
SCHEMBL1021400 0.85 AOC3 (0.36) TAAR1CARM1PRMT1HTR6L3MBTL1
SCHEMBL1020159 0.85 NOS2 (0.48) PRMT1NOS2HTR6L3MBTL1MAPK1
SCHEMBL1019346 0.82 MPO (0.34) NOS2NOS1
SCHEMBL1020152 0.79 MEN1 (0.48) NOS2
SCHEMBL1022538 0.79 NOS1 (0.42) NOS2HTR6ENPP1NOS1
SCHEMBL1021224 0.78 TAAR1 (0.46) TAAR1CARM1NOS2HTR6L3MBTL1
SCHEMBL1020554 0.76 CHRM2 (0.48) NOS2HTR6L3MBTL1MAPTAOC3

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 2621/4885CARM1 4275/4885PRMT1 3622/4885

“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.