SCHEMBL862025

SCHEMBL862025

CCO/N=C/c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
MAOA P21397 3/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TOP2A P11388 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
G6PC1 P35575 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.45
MAOB P27338 1/20 0.44
CTH P32929 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL840812 1.00 NR4A1 (0.50) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL862317 0.83 NR4A1 (0.47) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL213146 0.79 NR4A1 (0.55) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL213145 0.79 NR4A1 (0.55) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL8304519 0.79 NR4A1 (0.47) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL6814869 0.79 G6PC1 (0.54) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL6155306 0.79 G6PC1 (0.54) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL862320 0.79 NR4A1 (0.47) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL841340 0.79 NR4A1 (0.47) NR4A1MAOAMEN1NPC1RAB9A
SCHEMBL8304515 0.79 NR4A1 (0.47) NR4A1MAOAMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-07-06 US disclosed
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-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
US-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LIMITED (GB) 2010-01-21 US 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 (2 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-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PHOSPHO1, SGMS1, SGMS2 NR4A1 4744/4885MAOA 2425/4885MEN1 511/4885
US-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE DHX36, HAAO, INTS6 NR4A1 3416/4885MAOA 212/4885MEN1 1796/4885

“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.