SCHEMBL19085078

SCHEMBL19085078

O=C(CI)Cn1nnc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.63
MGAM O43451 9/20 0.63
AMY1A P0DUB6 9/20 0.63
SI P14410 9/20 0.63
MGAM2 Q2M2H8 9/20 0.63
RAB9A P51151 7/20 0.63
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL20109729 0.84 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL29625506 0.81 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL361654 0.81 GAA (0.73) GAAMGAMAMY1ASIMGAM2
Hydrochloric Acid SCHEMBL1371916 0.80 GAA (0.71) GAAMGAMAMY1ASIMGAM2
SCHEMBL16286769 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL29937880 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL1689837 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL2070662 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL11524883 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL1775885 0.79 RAB9A (0.61) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189369-A1 MULTI-ARM POLYMERIC ALKANOATE CONJUGATES NEKTAR THERAPEUTICS 2017-07-06 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-20170189369-A1 MULTI-ARM POLYMERIC ALKANOATE CONJUGATES ALK, ALKBH3, PAICS GAA 199/4885MGAM 377/4885AMY1A 2045/4885

“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.