SCHEMBL14739774

SCHEMBL14739774

Cc1ccc2[nH]c(CN3C(=S)Cc4c3cc[nH]c4=O)nc2c1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
CBFB Q13951 1/20 0.30

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
SCHEMBL14740403 0.79 PDE10A (0.43) NPC1
SCHEMBL14739742 0.73 ALOX15 (0.41) EGLN1
SCHEMBL1536751 0.71 MPO (0.47) OPRM1
SCHEMBL14740374 0.70 KDM4E (0.39) PARP2
SCHEMBL14739684 0.68 CYP1B1 (0.37) SMN1; SMN2
SCHEMBL14740299 0.65 BCHE (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL1536813 0.65 MPO (0.46)
SCHEMBL9847093 0.63 CBFB (0.46) OPRM1ADAMTS5NPC1RAB9ASMN1; SMN2
SCHEMBL23227712 0.62 CBFB (0.45) OPRM1ADAMTS5NPC1RAB9ASMN1; SMN2
SCHEMBL4069917 0.62 CBFB (0.45) OPRM1ADAMTS5NPC1RAB9ASMN1; SMN2

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 OPRM1 2040/4885ADAMTS5 418/4885NPC1 2138/4885

“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.