SCHEMBL841340

SCHEMBL841340

CC[Si](CC)(CC)ON=Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
MAOA P21397 2/20 0.46
TOP2A P11388 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
G6PC1 P35575 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.42
MAOB P27338 1/20 0.42
CTH P32929 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL862320 1.00 NR4A1 (0.47) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL215448 0.81 NR4A1 (0.52) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL215449 0.81 NR4A1 (0.52) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL214112 0.81 G6PC1 (0.51) NR4A1MAOATOP2ACYP1A2MEN1
SCHEMBL214111 0.81 G6PC1 (0.51) NR4A1MAOATOP2ACYP1A2MEN1
SCHEMBL840812 0.79 NR4A1 (0.50) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL862025 0.79 NR4A1 (0.50) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL213146 0.77 NR4A1 (0.55) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL213145 0.77 NR4A1 (0.55) NR4A1MAOATOP2ACYP1A2CYP2C19
SCHEMBL862317 0.77 NR4A1 (0.47) NR4A1MAOATOP2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054387-B1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LTD (GB) 2012-11-21 EP disclosed
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
EP-2054387-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE Phoenix Chemicals Limited (GB) 2009-05-06 EP disclosed
WO-2008023205-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LIMITED (GB) 2008-02-28 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-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE DHX36, HAAO, INTS6 NR4A1 3416/4885MAOA 212/4885TOP2A 820/4885

“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.