SCHEMBL878896

SCHEMBL878896

SO/N=C/c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
MAOA P21397 2/20 0.53
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.49
G6PC1 P35575 1/20 0.45
MAOB P27338 1/20 0.44
TOP2A P11388 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CTH P32929 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL213145 0.80 NR4A1 (0.55) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL213146 0.80 NR4A1 (0.55) NR4A1MAOARAB9AMEN1NPC1
Hydrochloric Acid SCHEMBL6166204 0.78 NR4A1 (0.53) NR4A1MAOARAB9AMEN1NPC1
Hydrochloric Acid SCHEMBL6166208 0.78 NR4A1 (0.53) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL215449 0.77 NR4A1 (0.52) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL215448 0.77 NR4A1 (0.52) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL9085905 0.77 MAOA (0.55) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL10494065 0.76 NR4A1 (0.65) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL1129737 0.76 NR4A1 (0.65) NR4A1MAOARAB9AMEN1NPC1
SCHEMBL215884 0.76 NR4A1 (0.50) NR4A1MAOARAB9AMEN1NPC1

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-8143406-B2 Process for the manufacture of HI-6 dimethanesulfonate PHOENIX CHEMICALS LIMITED (GB) 2012-03-27 US disclosed
US-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LIMITED (GB) 2010-01-21 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-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE DHX36, HAAO, INTS6 NR4A1 3416/4885MAOA 212/4885RAB9A 3158/4885

“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.