SCHEMBL2004679

SCHEMBL2004679

Cc1cccc(Cc2nsc(N3CC(C)NCC3C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PIK3CD O00329 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PRKCI P41743 1/20 0.32
CCR2 P41597 1/20 0.32
PIM1 P11309 1/20 0.32
LTA4H P09960 1/20 0.32
CNR1 P21554 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
SCHEMBL2008339 0.88 HTR6 (0.39) HTR6HTR2CHTR2BSIGMAR1HTR1A
SCHEMBL2006358 0.88 SIGMAR1 (0.43) HTR6HTR2CHTR2BSIGMAR1HTR1A
SCHEMBL2011864 0.87 HTR1B (0.42) HTR6HTR1BHRH3CCR2LTA4H
SCHEMBL2010491 0.83 PRKCI (0.35) SIGMAR1PIK3CDPRKCIPIM1
SCHEMBL2005108 0.83 HTR6 (0.41) HTR6HTR2CHTR2BHTR1AHTR1D
SCHEMBL2006785 0.81 PRKCI (0.35) HTR6HTR2CHTR2BSIGMAR1PRKCI
SCHEMBL2006211 0.81 SIGMAR1 (0.38) HTR6HTR2CHTR2BSIGMAR1PRKCI
SCHEMBL2008512 0.81 HTR2C (0.36) HTR6HTR2CHTR2BSIGMAR1PIK3CD
SCHEMBL2012429 0.80 HTR6 (0.36) HTR6MAPTOPRK1PRKCIPIM1
SCHEMBL2012276 0.77 HTR6 (0.36) HTR6HTR2CHTR2BSIGMAR1PRKCI

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 HTR6 2082/4885HTR2C 1846/4885HTR2B 2061/4885

“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.