SCHEMBL2005763

SCHEMBL2005763

COc1ccc(Cc2nsc(N3CCNC(C)C3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
NPY5R Q15761 2/20 0.39
HTR3A P46098 2/20 0.36
PIN1 Q13526 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GSK3B P49841 3/20 0.35
CYP2D6 P10635 2/20 0.35
RAB9A P51151 1/20 0.34
CETP P11597 1/20 0.34
USP25 Q9UHP3 3/20 0.34
USP28 Q96RU2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BIRC2 Q13490 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
SCHEMBL3051059 0.88 CNR1 (0.39) HTR6NPY5RPIN1USP25USP28
SCHEMBL1019878 0.87 CNR1 (0.42) HTR6HTR3APIN1USP25USP28
SCHEMBL2005739 0.87 HTR6 (0.44) HTR6PIN1ADRB1SIGMAR1GSK3B
SCHEMBL2012804 0.86 CETP (0.44) HTR6GSK3BCETPUSP25PRKCI
SCHEMBL2003871 0.86 CSNK1E (0.39) HTR6NPY5RHRH3BIRC2PRKCI
SCHEMBL2006897 0.86 KHK (0.41) HTR6PIN1SIGMAR1CETPHRH3
SCHEMBL2011584 0.84 HTR3A (0.49) HTR6HTR3AHTR3EHTR3BADRB1
SCHEMBL4684463 0.83 NMT1 (0.41) HTR6ADRB1CYP2D6MEN1KMT2A
SCHEMBL2012429 0.82 HTR6 (0.36) HTR6NPY5RCYP2D6BIRC2PRKCI
SCHEMBL2004188 0.81 HTR3A (0.46) HTR6NPY5RHTR3AHTR3EHTR3B

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 2082/4885NPY5R 4220/4885HTR3A 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.