SCHEMBL6901153

SCHEMBL6901153

Nc1[nH]cnc1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.38
XDH P47989 4/20 0.36
GABRR1 P24046 1/20 0.35
GAA P10253 3/20 0.35
BRD4 O60885 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
BCAT2 O15382 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
NT5C2 P49902 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19555386 0.84 GDA (0.42) GDAXDHGAABRD4NPC1
SCHEMBL19409219 0.82 GDA (0.41) GDAXDHTDP1L3MBTL1ALDH1A1
SCHEMBL13348706 0.73
SCHEMBL71570 0.72
SCHEMBL28758025 0.72 GDA (0.47) GDAGABRR1GAATDP1L3MBTL1
SCHEMBL6334335 0.72 GABRR1 (0.36) XDHGABRR1GAABRD4TDP1
SCHEMBL22118770 0.72 BRD4 (0.40) GAABRD4HSD17B10NPC1RAB9A
SCHEMBL29654971 0.72 BRD4 (0.40) GAABRD4HSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL9595105 0.71 GDA (0.46) GDAGABRR1GAATDP1L3MBTL1
SCHEMBL19409247 0.70

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-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO 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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP GDA 50/4885XDH 1556/4885GABRR1 4463/4885

“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.