SCHEMBL3776897

SCHEMBL3776897

O=C(Cc1ncc[nH]1)OC(=O)Cc1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
GAA P10253 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FDPS P14324 1/20 0.43
TAAR1 Q96RJ0 7/20 0.42
HTR1A P08908 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TERT O14746 1/20 0.38

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
SCHEMBL6013791 0.85 KDM4E (0.46) TBXAS1GAASMN1; SMN2FDPSTAAR1
SCHEMBL6013790 0.85 TBXAS1 (0.44) TBXAS1GAASMN1; SMN2FDPSTAAR1
Hydrochloric Acid SCHEMBL28900907 0.83 KDM4E (0.49) TBXAS1GAASMN1; SMN2FDPSTAAR1
Water SCHEMBL2827597 0.83 TBXAS1 (0.42) TBXAS1GAASMN1; SMN2FDPSTAAR1
SCHEMBL7866877 0.82 HSD17B10 (0.50) TBXAS1GAASMN1; SMN2TAAR1HTR1A
SCHEMBL10716164 0.82 TBXAS1 (0.41) TBXAS1GAASMN1; SMN2FDPSTAAR1
SCHEMBL16540538 0.82 GAA (0.43) TBXAS1GAASMN1; SMN2FDPSTAAR1
SCHEMBL8519473 0.81 TBXAS1 (0.50) TBXAS1GAASMN1; SMN2FDPSTAAR1
SCHEMBL4151559 0.80 FDPS (0.45) TBXAS1GAASMN1; SMN2FDPSTAAR1
Hydrochloric Acid SCHEMBL7019349 0.80 HSD17B10 (0.49) TBXAS1GAASMN1; SMN2TAAR1HTR1A

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-9803030-B2 Modified saccharides GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-10-31 US disclosed
EP-2118145-B1 MODIFIED SACCHARIDES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-05-17 EP disclosed
EP-2548895-A1 Modified saccharides Novartis AG (CH) 2013-01-23 EP disclosed
US-20100322958-A1 MODIFIED SACCHARIDES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2010-12-23 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-20100322958-A1 MODIFIED SACCHARIDES MSR1, OXGR1, SUCNR1 TBXAS1 2628/4885GAA 2121/4885SMN1; SMN2 3895/4885

“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.