SCHEMBL26323927

SCHEMBL26323927

Cc1ccc(COCNC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.45
KCNH2 Q12809 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL11209753 0.82 TSHR (0.54) CA1CA2CA9RAB9AIDO1
SCHEMBL9617939 0.76 AGXT (0.64) AGXTKCNH2CA1CA2CA9
SCHEMBL3161372 0.76 AGXT (0.64) AGXTKCNH2CA1CA2CA9
Potassium SCHEMBL586332 0.74 AGXT (0.61) AGXTKCNH2CA1CA2CA9
SCHEMBL586154 0.74 AGXT (0.61) AGXTKCNH2CA1CA2CA9
Lithium SCHEMBL585057 0.74 AGXT (0.61) AGXTKCNH2CA1CA2CA9
SCHEMBL8263617 0.74 AGXT (0.50) AGXTKCNH2CA1CA2CA9
SCHEMBL8851013 0.73 SMN1; SMN2 (0.58) AGXTNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL9682048 0.72 RAB9A (0.49) AGXTKCNH2CA1CA2CA9
SCHEMBL9861794 0.72 AGXT (0.58) AGXTKCNH2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255908-A1 METHODS OF INTRAVENOUSLY ADMINISTERING SOTALOL HYDROCHLORIDE AltaThera Pharmaceuticals LLC (US) 2023-08-17 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-20230255908-A1 METHODS OF INTRAVENOUSLY ADMINISTERING SOTALOL HYDROCHLORIDE TNNT2, TNNI3, TNNC1 AGXT 1316/4885KCNH2 287/4885CA1 3012/4885

“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.