SCHEMBL12756744

SCHEMBL12756744

O=C(O)c1c(NC(=O)C2Cc3ccccc32)csc1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.40
▸ ANO1 Q5XXA6 12/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ PRSS12 P56730 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRMT5 O14744 1/20 0.32

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
SCHEMBL12756737 0.86 NPY5R (0.48) P2RX7ANO1NPY5RTP53MDM2
SCHEMBL12830909 0.82 ANO1 (0.38) ANO1NPY5RTP53MDM2
SCHEMBL12756733 0.81 P2RX7 (0.43) P2RX7ANO1NPY5RTP53MDM2
SCHEMBL1954708 0.81 ANO1 (0.56) ANO1MEN1KMT2A
SCHEMBL12829854 0.81 GAA (0.43) ANO1NPY5RTP53MDM2MEN1
SCHEMBL12756759 0.80 NPY5R (0.41) ANO1NPY5RMEN1KMT2A
SCHEMBL12756657 0.77 DEGS1 (0.44) —
SCHEMBL12756752 0.77 TAS1R3 (0.54) MEN1KMT2A
SCHEMBL12756765 0.77 ALDH1A1 (0.41) ANO1TP53MDM2PRSS12MEN1
SCHEMBL12756545 0.76 ANO1 (0.49) ANO1TP53MDM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 P2RX7 360/4885ANO1 114/4885KCNQ2 173/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 P2RX7 360/4885ANO1 114/4885KCNQ2 173/4885

“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.

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