SCHEMBL12756737

SCHEMBL12756737

O=C(O)c1c(NC(=O)C2Cc3ccccc3C2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.48
▸ ANO1 Q5XXA6 4/20 0.41
▸ P2RX7 Q99572 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRM7 Q14831 1/20 0.36
▸ MMP3 P08254 1/20 0.35
▸ MMP8 P22894 1/20 0.35

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
SCHEMBL12756733 0.93 P2RX7 (0.43) NPY5RANO1P2RX7HDAC1HDAC2
SCHEMBL12756759 0.91 NPY5R (0.41) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL12756734 0.89 NPY5R (0.39) NPY5RP2RX7HDAC1HDAC2HDAC3
SCHEMBL12830896 0.87 ANO1 (0.42) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL15479123 0.87 ANO1 (0.42) NPY5RANO1HDAC1HDAC2HDAC3
SCHEMBL12756744 0.86 P2RX7 (0.40) NPY5RANO1P2RX7TP53MDM2
SCHEMBL12830906 0.85 MMP8 (0.42) NPY5RHDAC1HDAC2MEN1KMT2A
SCHEMBL12830909 0.85 ANO1 (0.38) NPY5RANO1TP53MDM2
SCHEMBL12829854 0.83 GAA (0.43) NPY5RANO1TP53MDM2MEN1
SCHEMBL12756748 0.82 P2RX7 (0.41) NPY5RP2RX7HDAC1HDAC2HDAC3

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
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

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 114/4885P2RX7 360/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPY5R 2598/4885ANO1 114/4885P2RX7 360/4885

“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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