SCHEMBL6216646

SCHEMBL6216646

COc1ccc(CNc2nc(C[S+]([O-])CC(=O)O)nc3sc4c(c23)CCCC4)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.43
ACHE P22303 2/20 0.42
GAA P10253 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
KCNH2 Q12809 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HPGD P15428 1/20 0.40
PDE5A O76074 1/20 0.39
MIF P14174 1/20 0.39
PTGS2 P35354 3/20 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
SCHEMBL6212719 0.93 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6216029 0.89 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6213381 0.87 PRKCI (0.46) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6211763 0.87 KMT2A (0.61) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6212974 0.86 PDE5A (0.53) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6792490 0.86 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6214632 0.85 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6217931 0.85 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6214819 0.85 KMT2A (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6210438 0.85 KMT2A (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351962-B1 THIENOPYRIMIDINE MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
US-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 US 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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 MAPT 4330/4885MEN1 2082/4885KMT2A 3197/4885

“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.