SCHEMBL1019632

SCHEMBL1019632

CC(CCN)Nc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
CXCR2 P25025 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
EED O75530 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1021862 0.88 HTR6 (0.36) HTR6TAAR1ALDH1A1HTR2CHTR2B
SCHEMBL1021064 0.86 HTR6 (0.36) HTR6CXCR2TAAR1L3MBTL1ADORA2A
SCHEMBL1019973 0.85 TAAR1 (0.40) HTR6TAAR1L3MBTL1MAPK1ADORA2A
SCHEMBL1020631 0.82 HTR6 (0.35) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1021227 0.82 HTR6 (0.37) HTR6CXCR2TAAR1L3MBTL1ADORA2A
SCHEMBL1019884 0.81 HTR6 (0.38) HTR6TAAR1L3MBTL1ADORA2AADORA2B
SCHEMBL1023660 0.80 NPC1 (0.39) HTR6CXCR2TAAR1L3MBTL1ALDH1A1
SCHEMBL1019634 0.80 HTR6 (0.37) HTR6TAAR1L3MBTL1ADORA2AADORA2B
SCHEMBL1018395 0.79 HTR6 (0.38) HTR6TAAR1L3MBTL1ADORA2AADORA2B
SCHEMBL1020408 0.78 MPO (0.35) L3MBTL1ALDH1A1HTT

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 2082/4885CXCR2 4565/4885TAAR1 2621/4885

“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.