SCHEMBL12829854

SCHEMBL12829854

O=C(O)c1c(NC(=O)C2Cc3ccccc3N2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPY5R Q15761 1/20 0.35
▸ ANO1 Q5XXA6 11/20 0.35
▸ MC4R P32245 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31

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 0.83 NPY5R (0.48) NPY5RANO1TP53MDM2MEN1
SCHEMBL1954283 0.82 ANO1 (0.53) ANO1MEN1KMT2A
SCHEMBL12756744 0.81 P2RX7 (0.40) NPY5RANO1TP53MDM2MEN1
SCHEMBL12830909 0.80 ANO1 (0.38) NPY5RANO1TP53MDM2
SCHEMBL12756733 0.79 P2RX7 (0.43) NPY5RANO1TP53MDM2
SCHEMBL12756759 0.77 NPY5R (0.41) NPY5RANO1MEN1KMT2A
SCHEMBL12756657 0.75 DEGS1 (0.44) GAALMNA
SCHEMBL12756752 0.75 TAS1R3 (0.54) GAAMEN1KMT2A
SCHEMBL12756545 0.73 ANO1 (0.49) MAPTANO1LMNATP53MDM2
SCHEMBL12756734 0.72 NPY5R (0.39) NPY5RMEN1KMT2A

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 3 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
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 GAA 994/4885MAPT 1478/4885NPY5R 2598/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GAA 994/4885MAPT 1478/4885NPY5R 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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