SCHEMBL2005372

SCHEMBL2005372

c1ccc(Cc2nsc(N3CCCNCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HTR6 P50406 2/20 0.43
HTR2C P28335 2/20 0.42
HTR2A P28223 1/20 0.42
NCF1 P14598 1/20 0.41
HTR2B P41595 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ITGA2B P08514 1/20 0.41
HTR3A P46098 3/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CNR1 P21554 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2007325 0.95 TAAR1 (0.51) CETPTAAR1HTR6HTR2CHTR2A
SCHEMBL2011744 0.87 CNR1 (0.49) CETPHTR6HTR2CHTR2ANCF1
SCHEMBL2013483 0.87 CETP (0.54) CETPHTR6HTR2CHTR2BHTR3A
SCHEMBL2008248 0.87 HTR2B (0.43) CETPHTR6HTR2CHTR2AHTR2B
SCHEMBL2008099 0.86 HTR2B (0.45) HTR6HTR2CHTR2AHTR2BHTR3A
SCHEMBL2005415 0.86 HTR2C (0.45) HTR6HTR2CHTR2ANCF1HTR2B
SCHEMBL2004188 0.84 HTR3A (0.46) CETPHTR6HTR2BHTR3ACHRNB2
SCHEMBL2008345 0.83 ADRB1 (0.47) HTR6HTR2BHTR3ACHRNB2CHRNA4
SCHEMBL2011983 0.83 HTR2B (0.43) HTR6HTR2CNCF1HTR2BKDM4E
SCHEMBL2009208 0.83 LMNA (0.43) HTR6HTR2CNCF1HTR2BKDM4E

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 4 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
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 CETP 4201/4885TAAR1 2621/4885HTR6 2082/4885

“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.