SCHEMBL12756516

SCHEMBL12756516

O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ THRB P10828 3/20 0.54
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.48
▸ CDH1 P12830 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ TCF7L2 Q9NQB0 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MME P08473 1/20 0.48

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
SCHEMBL12756517 0.90 KMT2A (0.61) TP53MAPTMEN1KMT2ANPC1
SCHEMBL1490373 0.81 KMT2A (0.52) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL12756545 0.81 ANO1 (0.49) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL12829995 0.81 NPC1 (0.54) MAPTMEN1KMT2ANPC1TDP1
SCHEMBL1952407 0.80 TP53 (0.75) TP53MAPTMEN1KMT2A
SCHEMBL12756531 0.79 GRM5 (0.52) MAPTMEN1KMT2AMME
SCHEMBL12830429 0.79 ANO1 (0.42) MAPTRXFP1MEN1KMT2ATDP1
SCHEMBL12830148 0.79 ANO1 (0.41) TP53MAPTMEN1KMT2ANPC1
SCHEMBL15480667 0.79 MAPT (0.54) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL1490509 0.79 KMT2A (0.55) TP53MAPTRXFP1MEN1KMT2A

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 TP53 2681/4885MAPT 1478/4885RXFP1 2109/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885MAPT 1478/4885RXFP1 2109/4885

“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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