SCHEMBL13348562

SCHEMBL13348562

NC(=O)c1nc[nH]c1NI

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.41
PARP1 P09874 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 5/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PAX8 Q06710 1/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XDH P47989 1/20 0.32
MAPT P10636 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
POLB P06746 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL14034284 0.81 GDA (0.41) GDAPARP1HSD17B10CYP2C19GAA
SCHEMBL28543470 0.79 GDA (0.40) GDAPARP1HSD17B10CYP2C19GAA
SCHEMBL1059195 0.78 GDA (0.39) GDAPARP1HSD17B10CYP2C19GAA
SCHEMBL15131350 0.78 GDA (0.39) GDAPARP1HSD17B10CYP2C19GAA
SCHEMBL4210787 0.78 GDA (0.39) GDAPARP1HSD17B10CYP2C19GAA
SCHEMBL12259351 0.77 MAPK1 (0.40) GDAPAX8SMN1; SMN2
SCHEMBL8024 0.75
SCHEMBL28386283 0.75 GDA (0.37) GDAPARP1HSD17B10CYP2C19GAA
SCHEMBL24600749 0.74 XDH (0.46) GDAGAAALDH1A1LMNAL3MBTL1
Mtic SCHEMBL826375 0.74 GDA (0.36) GDAPARP1HSD17B10CYP2C19GAA

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-7737284-B2 Synthesis of temozolomide and analogs SCHERING PLOUGH CORP. (US) 2010-06-15 US disclosed
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION 2009-01-22 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-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS MGMT, TYMS, MCL1 GDA 122/4885PARP1 45/4885HSD17B10 3171/4885

“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.