SCHEMBL12830896

SCHEMBL12830896

O=C(O)c1c(NC(=O)C2Cc3ccc(F)cc3C2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 8/20 0.42
▸ ANO2 Q9NQ90 1/20 0.42
▸ NPY5R Q15761 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ ACHE P22303 3/20 0.37
▸ HDAC1 Q13547 5/20 0.37
▸ HDAC2 Q92769 5/20 0.37
▸ HDAC3 O15379 3/20 0.36

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
SCHEMBL15479123 0.88 ANO1 (0.42) ANO1NPY5RDHODHKMT2AHDAC1
SCHEMBL12756737 0.87 NPY5R (0.48) ANO1NPY5RKMT2AHDAC1HDAC2
SCHEMBL12830906 0.85 MMP8 (0.42) NPY5RKMT2AHDAC1HDAC2
SCHEMBL1954606 0.82 ANO1 (0.62) ANO1ANO2
SCHEMBL12756733 0.81 P2RX7 (0.43) ANO1NPY5RACHEHDAC1HDAC2
SCHEMBL12756759 0.79 NPY5R (0.41) ANO1NPY5RKMT2AHDAC1HDAC2
SCHEMBL12756734 0.77 NPY5R (0.39) NPY5RKMT2AHDAC1HDAC2HDAC3
SCHEMBL1490458 0.76 ANO1 (0.55) ANO1ANO2
SCHEMBL1490520 0.75 MEN1 (0.49) ANO1ANO2KMT2AHDAC2
SCHEMBL1490393 0.75 MEN1 (0.49) ANO1ANO2KMT2AHDAC2

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 2 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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885ANO2 98/4885NPY5R 2598/4885

“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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