SCHEMBL6796749

SCHEMBL6796749

COc1ccccc1CNc1nc(CCOCC(=O)O)nc2sc3c(c12)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.47
PSMD14 O00487 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.42
PDE5A O76074 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41

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
SCHEMBL6215108 0.92 PRKCI (0.48) PRKCIPSMD14L3MBTL1MEN1KMT2A
SCHEMBL6791788 0.88 PTGS2 (0.44) PRKCIL3MBTL1MEN1KMT2AMAPT
SCHEMBL6795549 0.88 PDE5A (0.54) PRKCIL3MBTL1MEN1KMT2AMAPT
SCHEMBL6796897 0.88 MAPT (0.46) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6791118 0.86 MAPT (0.50) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6211050 0.86 ALDH1A1 (0.50) PRKCIPSMD14L3MBTL1MEN1KMT2A
SCHEMBL6797221 0.85 MAPT (0.44) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6798804 0.85 KMT2A (0.62) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6797560 0.85 KMT2A (0.49) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6213381 0.83 PRKCI (0.46) PRKCIPSMD14L3MBTL1MEN1KMT2A

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 PRKCI 1399/4885PSMD14 4574/4885L3MBTL1 1550/4885

“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.