SCHEMBL6791118

SCHEMBL6791118

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.46
PRKCI P41743 1/20 0.46
PDE5A O76074 1/20 0.44
PTGS2 P35354 4/20 0.44
CDKN1A P38936 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6213278 0.91 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6798804 0.91 KMT2A (0.62) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6795549 0.91 PDE5A (0.54) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6797560 0.89 KMT2A (0.49) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6790737 0.89 KMT2A (0.49) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6796897 0.89 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6797221 0.87 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6796749 0.86 PRKCI (0.47) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6216459 0.86 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6798810 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.