SCHEMBL3626819

SCHEMBL3626819

O=C(Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
RAB9A P51151 3/20 0.71
KMT2A Q03164 3/20 0.71
NLRP3 Q96P20 1/20 0.71
NPC1 O15118 2/20 0.70
ANO1 Q5XXA6 14/20 0.65
ANO2 Q9NQ90 1/20 0.60
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GRIN2C Q14957 2/20 0.54

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
SCHEMBL3629317 0.91 ANO1 (0.71) ANO1ANO2
SCHEMBL3628404 0.89 MEN1 (0.70) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL3629650 0.88 ANO1 (0.61) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL3628382 0.87 MEN1 (0.80) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL3629623 0.87 MEN1 (0.80) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL21247173 0.84 MEN1 (0.64) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL1953737 0.84 ANO1 (0.58) MEN1KMT2AANO1
SCHEMBL3629634 0.84 MEN1 (0.77) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL3627477 0.83 MEN1 (1.00) MEN1RAB9AKMT2ANLRP3NPC1
SCHEMBL3629758 0.82 MEN1 (0.80) MEN1RAB9AKMT2ANLRP3NPC1

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 12 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
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
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US disclosed
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO 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 MEN1 2958/4885RAB9A 1174/4885KMT2A 4706/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885RAB9A 1174/4885KMT2A 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.