SCHEMBL6800624

SCHEMBL6800624

O=c1[nH]c(=O)n(C[C@@H](S)CS)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
PARP1 P09874 6/20 0.43
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX4 Q99571 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
BACE1 P56817 2/20 0.37
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LCK P06239 1/20 0.36
PRKACA P17612 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL6794703 0.86 PARP1 (0.46) DAOPARP1HTR1ADRD2HTR2A
SCHEMBL6300121 0.84 PARP1 (0.46) DAOPARP1CYP1A2MEN1KMT2A
SCHEMBL30704833 0.80 SMN1; SMN2 (0.53) DAOPARP1CYP1A2CYP2C19
SCHEMBL6027770 0.80 SMN1; SMN2 (0.53) DAOPARP1CYP1A2CYP2C19
SCHEMBL6294349 0.78 PARP1 (0.52) DAOPARP1CYP1A2P2RX4HTR1A
SCHEMBL17242599 0.78 PARP1 (0.49) DAOPARP1BACE1IDO1
SCHEMBL7022854 0.77 CYP1A2 (0.59) CYP1A2MEN1KMT2A
SCHEMBL6295463 0.76 PARP1 (0.50) DAOPARP1HTR1ADRD2HTR2A
SCHEMBL6295245 0.75 PARP1 (0.53) DAOPARP1CYP1A2HTR1ADRD2
SCHEMBL6027805 0.74 CYP1A2 (0.64) DAOPARP1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259192-A1 Method for cleaving the human growth hormone gh IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-12-23 US claimed
US-20040044013-A1 1-dimercaptoalkylquinazolin-2,4(1h,3h)-diones as matrix metalloproteinase (mmp) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-03-04 US claimed
US-20040259192-A1 Method for cleaving the human growth hormone gh IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-12-23 US disclosed
US-20040044013-A1 1-dimercaptoalkylquinazolin-2,4(1h,3h)-diones as matrix metalloproteinase (mmp) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-03-04 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 (2 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-20040044013-A1 1-dimercaptoalkylquinazolin-2,4(1h,3h)-diones as matrix metalloproteinase (mmp) inhibitors MMP2, MMP3, MMP1 DAO 114/4885PARP1 308/4885CYP1A2 466/4885
US-20040259192-A1 Method for cleaving the human growth hormone gh MMP3, MMP25, MMP17 DAO 2873/4885PARP1 1057/4885CYP1A2 2974/4885

“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.