SCHEMBL6575309

SCHEMBL6575309

O=[N+]([O-])c1ccc2c(c1)CC(O)CC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.50
ADRA2A P08913 6/20 0.50
GRIN2B Q13224 4/20 0.49
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL30942655 1.00 PNMT (0.50) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL8716290 0.94 PNMT (0.50) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL4551781 0.88 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.88 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL2728205 0.88 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL29507804 0.81 DRD2 (0.59) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL1953206 0.81 DRD2 (0.59) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL23196100 0.81 PNMT (0.54) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL3442261 0.81 DRD2 (0.54) PNMTADRA2AGRIN2BADRA2BADRA2C
SCHEMBL17248039 0.80 TDP1 (0.51) PNMTADRA2AGRIN2BADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 WO disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
EP-1051394-B1 POTASSIUM CHANNEL INHIBITORS ICAGEN INC (US) 2004-04-28 EP disclosed
US-6333337-B1 THE TREATMENT OF CARDIAC ARRHYTHMIAS AND CELL PROLIFERATIVE DISORDERS ARE DESCRIBED. ICAGEN, INC. 2001-12-25 US disclosed
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 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-20080114016-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B PNMT 3069/4885ADRA2A 4235/4885GRIN2B 4655/4885

“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.