SCHEMBL14740299

SCHEMBL14740299

O=c1[nH]ccc2c1CC(=S)N2Cc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.42
JAK2 O60674 1/20 0.42
HTR6 P50406 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL1536813 0.84 MPO (0.46) MAPK1KMT2AGPR84
SCHEMBL1519904 0.72 GSK3A (0.56) BCHECYP2D6LMNAKDM4EHTT
SCHEMBL21632682 0.71 BCHE (0.48) BCHECYP2D6LMNAKDM4EHTT
SCHEMBL14739742 0.71 ALOX15 (0.41)
SCHEMBL14740374 0.71 KDM4E (0.39) KDM4EMAPTDRD4AHR
SCHEMBL1536728 0.66 MPO (0.61) CYP3A4
SCHEMBL30492135 0.64 HTR6 (0.51) BCHECYP2D6LMNAKDM4EHTT
SCHEMBL10463380 0.62 LMNA (0.97) BCHECYP2D6LMNAKDM4EHTT
SCHEMBL1849016 0.62 LMNA (0.90) BCHECYP2D6LMNAKDM4EHTT
SCHEMBL2754242 0.62 RAB9A (0.70) BCHECYP2D6LMNAKDM4EHTT

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 BCHE 107/4885CYP2D6 2444/4885LMNA 4046/4885

“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.