SCHEMBL3625943

SCHEMBL3625943

O=C(Nc1scc(-c2ccccc2Br)c1C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
NLRP3 Q96P20 1/20 0.59
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MAPT P10636 2/20 0.57
GRIN2C Q14957 2/20 0.57
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TNF P01375 2/20 0.53
NOD1 Q9Y239 2/20 0.53
PRNP P04156 1/20 0.53
NOD2 Q9HC29 1/20 0.53
ANO1 Q5XXA6 2/20 0.47
PKM P14618 1/20 0.47
ERO1A Q96HE7 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
SCHEMBL3630189 0.90 MEN1 (0.74) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL3630836 0.90 ANO1 (0.60) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL12314172 0.85 MEN1 (0.80) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL3629424 0.84 MEN1 (0.88) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL3628701 0.82 MEN1 (0.57) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL4108485 0.82 CASP3 (0.73) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL1951855 0.81 KMT2A (0.70) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL3622116 0.79 MEN1 (1.00) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL3630314 0.79 MEN1 (0.78) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL3630211 0.79 MEN1 (0.78) MEN1KMT2ARAB9ANPC1NLRP3

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 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.