SCHEMBL30824367

SCHEMBL30824367

COCCNC(=O)c1ccc2cnccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HPGD P15428 2/20 0.55
NAMPT P43490 2/20 0.53
SMYD3 Q9H7B4 2/20 0.52
BRAF P15056 4/20 0.51
RAF1 P04049 1/20 0.51
TP53 P04637 1/20 0.49
AKT1 P31749 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47

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
SCHEMBL26928711 1.00 HDAC3 (0.57) HDAC3HDAC1HDAC2HPGDNAMPT
SCHEMBL15610973 0.80 MAPT (0.51) HPGDBRAFRAF1TP53KMT2A
SCHEMBL29784637 0.78 CYP11B1 (0.65) HDAC3HDAC1HDAC2NAMPTSMYD3
SCHEMBL17643849 0.78 SMYD3 (0.57) HDAC3HDAC1HDAC2SMYD3AKT1
SCHEMBL1519827 0.78 CYP11B1 (0.65) HDAC3HDAC1HDAC2NAMPTSMYD3
SCHEMBL1519811 0.78 SMYD3 (0.60) HDAC3HDAC1HDAC2NAMPTSMYD3
SCHEMBL8488280 0.78 NAMPT (0.64) HPGDNAMPTKMT2AALDH1A1
SCHEMBL15747587 0.77 ALDH1A1 (0.71) HDAC3HDAC1HDAC2HPGDBRAF
SCHEMBL28437816 0.76 SMYD3 (0.58) HDAC3HDAC1HDAC2SMYD3AKT1
SCHEMBL12600054 0.76 SMYD3 (0.49) HDAC3HDAC1HDAC2SMYD3KMT2A

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-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2024-03-28 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-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNA1, KCNB1, KCNB2 HDAC3 952/4885HDAC1 1071/4885HDAC2 1203/4885

“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.