SCHEMBL12756751

SCHEMBL12756751

O=C(CC1c2ccccc2-c2ccccc21)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 13/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL12756632 0.82 LMNA (0.50) ALDH1A1MAPK1MEN1LMNAKMT2A
SCHEMBL7957424 0.82 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL12756765 0.81 ALDH1A1 (0.41) ANO1ALDH1A1MAPK1MEN1LMNA
SCHEMBL12756629 0.78 NPSR1 (0.47) ANO1ALDH1A1MAPK1LMNAMAPT
SCHEMBL1490241 0.78 ALOX15 (0.53) MAPK1MEN1LMNAKMT2AMAPT
SCHEMBL12756711 0.77 RAB9A (0.55) MEN1LMNAKMT2AMAPTHPGD
SCHEMBL12756631 0.76 NPY5R (0.51) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12756649 0.76 HCAR2 (0.43) ANO1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12756545 0.76 ANO1 (0.49) ANO1ALDH1A1MEN1LMNAKMT2A
SCHEMBL12756687 0.75 NPSR1 (0.53) ANO1ALDH1A1MEN1KMT2AMAPT

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 ANO1 114/4885ALDH1A1 4409/4885MAPK1 2526/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885ALDH1A1 4409/4885MAPK1 2526/4885

“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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