SCHEMBL1490642

SCHEMBL1490642

O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ TP53 P04637 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ ANO1 Q5XXA6 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42

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
SCHEMBL12756898 0.88 MEN1 (0.53) KMT2AMEN1NPC1TP53ANO1
SCHEMBL12831006 0.86 MEN1 (0.53) KMT2AMEN1TP53ANO1RAB9A
SCHEMBL12756880 0.84 HDAC2 (0.55) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL1490587 0.83 ANO1 (0.44) KMT2AMEN1NPC1TP53ANO1
SCHEMBL1490556 0.81 MEN1 (0.54) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL1490568 0.81 MEN1 (0.49) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL1490673 0.81 ANO1 (0.45) KMT2AMEN1NPC1ANO1RAB9A
SCHEMBL12830932 0.81 ANO1 (0.43) KMT2AMEN1NPC1ANO1RAB9A
SCHEMBL1490562 0.81 MEN1 (0.44) KMT2AMEN1NPC1ANO1RAB9A
SCHEMBL1490517 0.80 ANO1 (0.47) KMT2ANPC1ANO1RAB9A

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 9 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 — — US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 — — EP 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
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 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885NPC1 262/4885

“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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