SCHEMBL1952289

SCHEMBL1952289

O=C(CCc1ccc(F)c(F)c1)Nc1scc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 9/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TNF P01375 1/20 0.48
PRNP P04156 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ANO2 Q9NQ90 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
SCHEMBL12271561 0.91 MEN1 (0.53) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL1952287 0.91 ANO1 (0.62) ANO1ANO2
SCHEMBL1952338 0.89 SMN1; SMN2 (0.53) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL1953935 0.87 CASP3 (0.53) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL1897752 0.85 SMN1; SMN2 (0.52) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL1954819 0.85 MEN1 (0.56) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL12271465 0.84 MEN1 (0.67) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL12271564 0.83 ANO1 (0.58) ANO1ANO2
SCHEMBL1951947 0.83 ANO1 (0.53) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL12271436 0.83 CASP3 (0.67) ANO1MEN1KMT2ANPC1RAB9A

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 20 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-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 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
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 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 (6 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885KMT2A 4706/4885
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885KMT2A 4706/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885KMT2A 4706/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885KMT2A 4706/4885
US-20110136816-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.