SCHEMBL2011864

SCHEMBL2011864

COc1cccc(Cc2nsc(N3CC(C)NCC3C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.42
HTR6 P50406 1/20 0.40
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
ALPL P05186 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NMT1 P30419 5/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
LTA4H P09960 1/20 0.35
ADORA1 P30542 1/20 0.35
CCR2 P41597 1/20 0.35
CMA1 P23946 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EED O75530 1/20 0.34

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
SCHEMBL2012429 0.88 HTR6 (0.36) HTR6XIAPBIRC2ALPL
SCHEMBL2004679 0.87 HTR6 (0.38) HTR1BHTR6HRH3LTA4HCCR2
SCHEMBL2008339 0.86 HTR6 (0.39) HTR1BHTR6XIAPBIRC2
SCHEMBL2006358 0.85 SIGMAR1 (0.43) HTR1BHTR6XIAPBIRC2
SCHEMBL2007283 0.84 HTR6 (0.42) HTR1BHTR6ALPLHRH3NMT1
SCHEMBL2005739 0.84 HTR6 (0.44) HTR1BHTR6ALPLNMT1KDM4E
SCHEMBL2004244 0.80 HTR6 (0.39) HTR1BHTR6HRH3LTA4HADORA1
SCHEMBL2006211 0.79 SIGMAR1 (0.38) HTR6XIAPBIRC2
SCHEMBL2006785 0.79 PRKCI (0.35) HTR6XIAP
SCHEMBL2010491 0.79 PRKCI (0.35)

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 HTR1B 1020/4885HTR6 2082/4885XIAP 2978/4885

“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.