SCHEMBL2008248

SCHEMBL2008248

Fc1ccc(Cc2nsc(N3CCCNCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.43
HTR6 P50406 5/20 0.43
HTR3A P46098 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2C P28335 5/20 0.41
CETP P11597 2/20 0.40
HTR2A P28223 4/20 0.39
CNR1 P21554 1/20 0.39
SOS1 Q07889 2/20 0.38
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRL1 P41146 1/20 0.36

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
SCHEMBL1021015 0.95 HTR2B (0.44) HTR2BHTR6HTR3AHTR1AHTR7
SCHEMBL2011744 0.88 CNR1 (0.49) HTR2BHTR6HTR3AHTR1AHTR1D
SCHEMBL2013483 0.88 CETP (0.54) HTR2BHTR6HTR3AHTR1AHTR1D
SCHEMBL2005372 0.87 CETP (0.47) HTR2BHTR6HTR3AHTR1AHTR7
SCHEMBL13088418 0.87 NPY5R (0.44) HTR6CNR1NPY5RALDH1A1CYP1A2
SCHEMBL2008099 0.86 HTR2B (0.45) HTR2BHTR6HTR3AHTR1AHTR1D
SCHEMBL2004188 0.84 HTR3A (0.46) HTR2BHTR6HTR3AHTR1AHTR1D
SCHEMBL2007838 0.84 SOS1 (0.47) CETPCNR1SOS1
SCHEMBL2002640 0.82 CETP (0.59) HTR2BHTR6HTR3AHTR1AHTR7
SCHEMBL3059952 0.82 CNR1 (0.48) HTR2BHTR6HTR3AHTR1AHTR1D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR2B 981/4885HTR6 2304/4885HTR3A 314/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR2B 981/4885HTR6 2304/4885HTR3A 314/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR2B 981/4885HTR6 2304/4885HTR3A 314/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR2B 2061/4885HTR6 2082/4885HTR3A 545/4885

“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.