SCHEMBL14740403

SCHEMBL14740403

O=c1[nH]ccc2c1CC(=S)N2Cc1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
DRD4 P21917 10/20 0.41
DRD2 P14416 2/20 0.41
CHRM1 P11229 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
GBA1 P04062 1/20 0.38
DDAH1 O94760 1/20 0.38
POLB P06746 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL14739636 0.86 HRH4 (0.39) DRD4ALDH1A1
SCHEMBL1536742 0.68 MPO (0.55)
SCHEMBL19749938 0.65 NPY5R (0.51) PDE10AHTTHPGDDRD4DRD2
SCHEMBL5157052 0.65 HTT (0.84) HTTHPGDDRD4DRD2ALDH1A1
SCHEMBL10248685 0.64 IDO1 (0.58) PDE10AHTTCHRM1NPC1DDAH1
SCHEMBL6941559 0.64 HTT (0.71) PDE10AHTTHPGDDRD4DRD2
SCHEMBL15055149 0.64 HPGD (0.52) PDE10AHTTHPGDDRD4DRD2
SCHEMBL7745407 0.64 PDE10A (0.53) PDE10AHTTHPGDDRD4DRD2
SCHEMBL2457444 0.64 PDE10A (0.45) PDE10AHTTHPGDDRD4CHRM1
SCHEMBL12045417 0.63 HTT (0.97) HTTHPGDDRD4DRD2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 US claimed

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-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE10A 2260/4885HTT 3/4885HPGD 1024/4885

“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.