SCHEMBL30745828

SCHEMBL30745828

FC(F)(F)c1cc(Nc2nc(-c3ccccn3)cs2)ncc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 2/20 0.58
KCNN2 Q9H2S1 2/20 0.58
KCNN3 Q9UGI6 2/20 0.58
MBD2 Q9UBB5 2/20 0.58
MECP2 P51608 1/20 0.58
SLC2A1 P11166 6/20 0.57
NPY5R Q15761 1/20 0.57
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
MEN1 O00255 3/20 0.52
PPP1CA P62136 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NR1I2 O75469 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL27039908 1.00 KCNN1 (0.58) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL30745757 0.87 SLC2A1 (0.63) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL24358223 0.87 SLC2A1 (0.63) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL29601191 0.85 SLC2A1 (0.57) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL24357966 0.85 SLC2A1 (0.57) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL24358040 0.84 NPC1 (0.43) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL30745661 0.84 NPC1 (0.43) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL24358225 0.84 SLC2A1 (0.56) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL30745692 0.84 SLC2A1 (0.56) KCNN1KCNN2KCNN3MBD2MECP2
SCHEMBL24358231 0.79 KCNN1 (0.68) KCNN1KCNN2KCNN3MBD2MECP2

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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA KCNN1 4605/4885KCNN2 4592/4885KCNN3 4470/4885

“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.