SCHEMBL30745771

SCHEMBL30745771

c1ccc(Nc2nc(-c3ccccn3)cs2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 2/20 1.00
KCNN2 Q9H2S1 2/20 1.00
KCNN3 Q9UGI6 2/20 1.00
MECP2 P51608 1/20 1.00
MBD2 Q9UBB5 1/20 1.00
NPC1 O15118 11/20 0.75
RAB9A P51151 9/20 0.75
KMT2A Q03164 9/20 0.75
MEN1 O00255 8/20 0.75
SMN1; SMN2 Q16637 6/20 0.74
MAPT P10636 6/20 0.74
NFKB1 P19838 5/20 0.74
NFKB2 Q00653 5/20 0.74
RELA Q04206 5/20 0.74
TP53 P04637 4/20 0.74
TDP1 Q9NUW8 3/20 0.74
PPP1CA P62136 2/20 0.74
ALPL P05186 2/20 0.74
POLB P06746 2/20 0.74
ALDH1A1 P00352 1/20 0.74

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
SCHEMBL5155715 1.00 KCNN1 (1.00) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL7678939 0.90 MAPT (0.81) KCNN1KCNN2KCNN3MECP2MBD2
Bromide SCHEMBL7673197 0.88 MAPT (0.79) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL27800934 0.87 MECP2 (0.77) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL7552748 0.87 NPC1 (0.91) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL15993486 0.87 KCNN1 (0.76) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL15993207 0.87 KCNN1 (0.76) KCNN1KCNN2KCNN3MECP2MBD2
Bromide SCHEMBL7669000 0.86 NPC1 (0.88) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL16217145 0.86 NPC1 (1.00) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL4397255 0.86 KMT2A (1.00) KCNN1KCNN2KCNN3MECP2MBD2

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.