SCHEMBL1020748

SCHEMBL1020748

CC(N)C(N)Cc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTR2C P28335 2/20 0.30
ADRA1D P25100 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HTR2B P41595 1/20 0.30
IDO1 P14902 1/20 0.30
AGXT P21549 1/20 0.30
CNR1 P21554 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
SCHEMBL1022396 0.88 HTR6 (0.35) HTR6MAPK1MAPTHTR2CHTR2B
SCHEMBL1020820 0.86 SLC6A2 (0.41) HTR6ALDH1A1MAPK1MAPTHTR2B
SCHEMBL1019971 0.86 CYP2D6 (0.40) HTR6ALDH1A1
SCHEMBL1021009 0.85 HTR6 (0.41) HTR6ALDH1A1HTR2CHTR2BIDO1
SCHEMBL1020508 0.84 MPO (0.37)
SCHEMBL1020626 0.79 HTR6 (0.39) HTR6ALDH1A1NPSR1HTR2CHTR2B
SCHEMBL16016397 0.78 HTR6 (0.39) HTR6ALDH1A1TDP1MAPK1NPSR1
SCHEMBL1021524 0.78 HTR6 (0.40) HTR6ALDH1A1TDP1LMNAHPGD
SCHEMBL1020816 0.75 TAAR1 (0.50) HTR6IDO1AGXT
SCHEMBL1020854 0.75 HTR6 (0.38) HTR6ALDH1A1NPSR1HPGDHTR2C

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 5 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
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 2082/4885ALDH1A1 608/4885TRPA1 3073/4885

“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.