SCHEMBL1019398

SCHEMBL1019398

CNCCN(C)c1nc(Cc2ccccc2F)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
HTR6 P50406 1/20 0.36
AOC3 Q16853 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT1 Q99873 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 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
SCHEMBL1019764 0.87 AOC3 (0.40) TAAR1HTR6AOC3LMNAALDH1A1
SCHEMBL1019350 0.86 PIK3CD (0.36) HTR6PRMT1HTR2CHTR2BCARM1
SCHEMBL1020739 0.83 CHRM2 (0.38) HTR6AOC3ALDH1A1HTTL3MBTL1
SCHEMBL1022413 0.82 ATM (0.38) TAAR1ALDH1A1L3MBTL1HTR2C
SCHEMBL1023625 0.80 HTR7 (0.44) LMNAALDH1A1
SCHEMBL1018376 0.80 TAAR1 (0.41) TAAR1HTR6AOC3
SCHEMBL1021224 0.78 TAAR1 (0.46) TAAR1HTR6ALDH1A1NPC1L3MBTL1
SCHEMBL1019346 0.77 MPO (0.34)
SCHEMBL1020904 0.76 MEN1 (0.37) TAAR1HTR6AOC3LMNAALDH1A1
SCHEMBL1020730 0.75 ALDH1A1 (0.34) TAAR1HTR6LMNAALDH1A1NPC1

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 2621/4885HTR6 2082/4885AOC3 810/4885

“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.