SCHEMBL3629758

SCHEMBL3629758

O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
RAB9A P51151 3/20 0.80
NLRP3 Q96P20 1/20 0.80
NPC1 O15118 2/20 0.78
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
TNF P01375 1/20 0.63
PRNP P04156 1/20 0.63
NOD2 Q9HC29 1/20 0.63
NOD1 Q9Y239 1/20 0.63
ANO1 Q5XXA6 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
GRIN2C Q14957 3/20 0.60
ANO2 Q9NQ90 1/20 0.57
LMNA P02545 1/20 0.56
HPGD P15428 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
SCHEMBL3629424 0.94 MEN1 (0.88) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3627477 0.89 MEN1 (1.00) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL12314172 0.89 MEN1 (0.80) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3629630 0.88 MEN1 (0.75) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL15233171 0.88 MEN1 (0.75) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3628382 0.88 MEN1 (0.80) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3629623 0.88 MEN1 (0.80) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3629710 0.88 MEN1 (1.00) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3622116 0.88 MEN1 (1.00) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3630314 0.88 MEN1 (0.78) MEN1KMT2ARAB9ANLRP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8507269-B2 Calcium channel proteins and uses thereof CALCIMEDICA, INC. (US) 2013-08-13 US disclosed
US-8507269-B2 Calcium channel proteins and uses thereof CALCIMEDICA, INC. (US) 2013-08-13 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
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
US-20080293092-A1 CALCIUM CHANNEL PROTEINS AND USES THEREOF CALCIMEDICA, INC. (US) 2008-11-27 US disclosed
US-20080293092-A1 CALCIUM CHANNEL PROTEINS AND USES THEREOF CALCIMEDICA, INC. (US) 2008-11-27 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 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885

“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.