SCHEMBL1021239

SCHEMBL1021239

CC(C)NCCN(c1nc(Cc2ccc(Cl)cc2)ns1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
MAPK1 P28482 3/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR1 P21453 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
TAAR1 Q96RJ0 3/20 0.31
HTR6 P50406 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1021031 0.89 CNR1 (0.36) MAPK1L3MBTL1MAPT
SCHEMBL1021250 0.88 TAAR1 (0.31) TAAR1HTR6
SCHEMBL1021387 0.88 CCR4 (0.32) MAPK1L3MBTL1NPC1
SCHEMBL1019364 0.86 NOS2 (0.37) MAPK1L3MBTL1ALDH1A1TAAR1HTR6
SCHEMBL1019479 0.81 HTR6 (0.34) ALDH1A1TAAR1HTR6
SCHEMBL1022017 0.80 L3MBTL1 (0.37) L3MBTL1NPC1ALDH1A1TAAR1HTR6
SCHEMBL1022427 0.78 CHRM2 (0.38) NPC1TAAR1HTR6
SCHEMBL1019885 0.78 ADRA2C (0.33) HTR6
SCHEMBL1020730 0.77 ALDH1A1 (0.34) NPC1ALDH1A1TAAR1HTR6
SCHEMBL1021077 0.76 L3MBTL1 (0.35) MAPK1L3MBTL1ALDH1A1HTR6

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 TRPV4 4087/4885MAPK1 1416/4885L3MBTL1 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.