SCHEMBL2012429

SCHEMBL2012429

COc1ccc(Cc2nsc(N3CC(C)NCC3C)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
PTGIR P43119 2/20 0.34
PIM1 P11309 1/20 0.34
PRKCI P41743 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
NPY5R Q15761 1/20 0.33
OPRK1 P41145 4/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
HRH1 P35367 2/20 0.32
KCNH2 Q12809 1/20 0.32
ALPL P05186 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2011864 0.88 HTR1B (0.42) HTR6XIAPBIRC2ALPL
SCHEMBL2006785 0.87 PRKCI (0.35) HTR6PIM1PRKCIXIAP
SCHEMBL2006211 0.87 SIGMAR1 (0.38) HTR6PIM1PRKCIXIAPBIRC2
SCHEMBL2006358 0.86 SIGMAR1 (0.43) HTR6PIM1PRKCIXIAPBIRC2
SCHEMBL2005763 0.82 HTR6 (0.40) HTR6PRKCIBIRC2NPY5RCYP2D6
SCHEMBL2004244 0.81 HTR6 (0.39) HTR6PIM1PRKCIMAPK1L3MBTL1
SCHEMBL2010491 0.80 PRKCI (0.35) PIM1PRKCI
SCHEMBL2004679 0.80 HTR6 (0.38) HTR6PIM1PRKCIOPRK1MAPT
SCHEMBL2008339 0.79 HTR6 (0.39) HTR6XIAPBIRC2CYP3A4L3MBTL1
SCHEMBL2008512 0.77 HTR2C (0.36) HTR6PIM1PRKCICYP3A4CYP2D6

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 2082/4885PTGIR 1312/4885PIM1 2610/4885

“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.