SCHEMBL8300855

SCHEMBL8300855

N=C(N)NC(=O)c1cc(CO)cc(-n2cccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 4/20 0.43
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MCL1 Q07820 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 3/20 0.33

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
Hydrochloric Acid SCHEMBL8702987 0.99 AOC2 (0.43) AOC2VHLELOCELOBSMN1; SMN2
SCHEMBL8707029 0.94 AOC2 (0.39) AOC2VHLELOCELOBSMN1; SMN2
SCHEMBL8700562 0.90 AOC2 (0.36) AOC2VHLELOCELOBSMN1; SMN2
SCHEMBL8699333 0.87 AOC2 (0.47) AOC2SMN1; SMN2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL8704665 0.86 AOC2 (0.41) AOC2SMN1; SMN2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL8706003 0.84 AOC2 (0.39) AOC2SMN1; SMN2PRSS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL8704074 0.84 SMN1; SMN2 (0.40) AOC2SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL8704334 0.82 AOC2 (0.43) AOC2SMN1; SMN2ALDH1A1L3MBTL1MCL1
SCHEMBL8183727 0.82 AOC2 (0.43) AOC2SMN1; SMN2GAAL3MBTL1MCL1
Hydrochloric Acid SCHEMBL8704455 0.81 AOC2 (0.42) AOC2SMN1; SMN2GAAL3MBTL1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US claimed
US-7629493-B2 purifying the antiarrhythmia agent; by dissolving in water mixture which is saturated with at least one water-immiscible solvent and water-miscible solvents, to crystallize at a low temperature; produce on large industrial scales MERCK PATENT GMBH (DE) 2009-12-08 US disclosed
US-7629493-B2 purifying the antiarrhythmia agent; by dissolving in water mixture which is saturated with at least one water-immiscible solvent and water-miscible solvents, to crystallize at a low temperature; produce on large industrial scales MERCK PATENT GMBH (DE) 2009-12-08 US disclosed
EP-1620394-B1 METHOD FOR CRYSTALLIZING GUANIDINIUM SALTS MERCK PATENT GMBH (DE) 2008-08-13 EP disclosed
US-20070055064-A1 Process for the crystallisation of guandinium salts MERCK PATENT GMBH (DE) 2007-03-08 US disclosed
US-20070055064-A1 Process for the crystallisation of guandinium salts MERCK PATENT GMBH (DE) 2007-03-08 US disclosed
WO-2004099125-A1 METHOD FOR CRYSTALLIZING GUANIDINIUM SALTS MERCK PATENT GMBH (DE) 2004-11-18 WO disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 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-20070055064-A1 Process for the crystallisation of guandinium salts GMPS, GUCY1A2, GUCY1A1 AOC2 2021/4885VHL 3502/4885ELOC 3142/4885

“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.