SCHEMBL3629708

SCHEMBL3629708

O=C(Nc1scc(-c2ccc(Cl)cc2Cl)c1C(=O)O)c1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 13/20 0.53
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GALR3 O60755 1/20 0.51
LMNA P02545 1/20 0.51
NR2F2 P24468 1/20 0.51
KDM4E B2RXH2 2/20 0.48
CYP2C9 P11712 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL3631229 0.88 ANO1 (0.65) ANO1
SCHEMBL3630330 0.86 ANO1 (0.54) ANO1ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL1490639 0.83 HDAC1 (0.46) OPRM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3629105 0.82 HDAC1 (0.50) ANO1LMNAMAPTRAB9AMEN1
SCHEMBL12314202 0.80 ANO1 (0.59) ANO1ALDH1A1HTTSMN1; SMN2GALR3
SCHEMBL3629342 0.79 MEN1 (0.61) ANO1ALDH1A1NPC1MAPTPKM
SCHEMBL3628324 0.79 CASP3 (0.59) ANO1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL3627301 0.79 ALDH1A1 (0.67) ANO1ALDH1A1HTTSMN1; SMN2GALR3
SCHEMBL13926784 0.78 ANO1 (0.58) ANO1ALDH1A1HTTSMN1; SMN2GALR3
SCHEMBL12314183 0.78 ALDH1A1 (0.55) ANO1ALDH1A1HTTSMN1; SMN2GALR3

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
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
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 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 ANO1 114/4885ALDH1A1 4409/4885HTT 809/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885ALDH1A1 4409/4885HTT 809/4885

“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.