SCHEMBL12756759

SCHEMBL12756759

O=C1CC(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.41
▸ ANO1 Q5XXA6 10/20 0.39
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ CNR1 P21554 1/20 0.33

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 0.91 NPY5R (0.48) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL12830907 0.90 ANO1 (0.37) NPY5RANO1MEN1KMT2AHSP90AA1
SCHEMBL12756733 0.84 P2RX7 (0.43) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL1951579 0.83 ANO1 (0.56) ANO1MEN1KMT2A
SCHEMBL12756734 0.80 NPY5R (0.39) NPY5RHDAC1HDAC2HDAC3MEN1
SCHEMBL12756744 0.80 P2RX7 (0.40) NPY5RANO1MEN1KMT2A
SCHEMBL15479123 0.79 ANO1 (0.42) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL12830896 0.79 ANO1 (0.42) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL12830909 0.79 ANO1 (0.38) NPY5RANO1CNR1
SCHEMBL12829854 0.77 GAA (0.43) NPY5RANO1MEN1KMT2A

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 4 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
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 NPY5R 2598/4885ANO1 114/4885HDAC1 2696/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPY5R 2598/4885ANO1 114/4885HDAC1 2696/4885

“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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