SCHEMBL6216459

SCHEMBL6216459

COc1ccc(CNc2nc(CSCC(=O)O)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRKCI P41743 1/20 0.47
PDE5A O76074 1/20 0.46
POLB P06746 1/20 0.46
PTGS2 P35354 4/20 0.45
ELANE P08246 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CDKN1A P38936 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL6213312 0.90 KMT2A (0.65) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6216645 0.90 PDE5A (0.57) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6217931 0.89 MAPT (0.47) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6219353 0.88 MEN1 (0.52) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6212899 0.88 KMT2A (0.52) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6213278 0.87 MAPT (0.52) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6215003 0.86 MAPT (0.45) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6791118 0.86 MAPT (0.50) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6211050 0.85 ALDH1A1 (0.50) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL6216029 0.84 MAPT (0.48) MAPTKMT2AMEN1NPSR1HTT

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 4330/4885KMT2A 3197/4885MEN1 2082/4885

“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.