SCHEMBL3628154

SCHEMBL3628154

O=C(Nc1scc(-c2cccc(Cl)c2)c1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 17/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RAB9A P51151 1/20 0.63
NLRP3 Q96P20 1/20 0.63
GRIN2C Q14957 1/20 0.61
ANO2 Q9NQ90 1/20 0.56

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
SCHEMBL21247530 0.94 MEN1 (0.65) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL13819666 0.92 MEN1 (0.65) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL15233175 0.92 MEN1 (0.60) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL3629742 0.92 MEN1 (0.65) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL3630966 0.90 MEN1 (0.77) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL13926174 0.88 ANO1 (0.72) ANO1ANO2
SCHEMBL3631114 0.87 ANO1 (0.83) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL1953916 0.87 ANO1 (0.56) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL4124608 0.86 CASP3 (0.72) ANO1MEN1KMT2ARAB9ANLRP3
SCHEMBL3628216 0.86 MEN1 (0.61) ANO1MEN1KMT2ARAB9ANLRP3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US claimed
CN-101854933-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2010-10-06 CN claimed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP claimed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US claimed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO claimed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
CN-101854933-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2010-10-06 CN disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885KMT2A 4706/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885KMT2A 4706/4885

“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.