SCHEMBL2591409

SCHEMBL2591409

O=C(Nc1ccc(-c2cc3c(cc2Br)OCCO3)cc1)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ SMO Q99835 8/20 0.54
▸ THRB P10828 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ NR2E3 Q9Y5X4 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
SCHEMBL2582432 0.93 SMO (0.54) RAB9ANPC1SMOTP53HPGD
SCHEMBL15164983 0.89 SMO (0.50) RAB9ANPC1SMOSMN1; SMN2KMT2A
SCHEMBL15164988 0.81 SMO (0.53) RAB9ANPC1SMOSMN1; SMN2KMT2A
SCHEMBL17346806 0.80 RAB9A (0.67) RAB9ANPC1TP53HPGDSMN1; SMN2
SCHEMBL15164958 0.80 SMN1; SMN2 (0.57) RAB9ANPC1TP53HPGDSMN1; SMN2
SCHEMBL12181649 0.79 SMO (0.53) RAB9ANPC1SMOSMN1; SMN2KMT2A
SCHEMBL12155769 0.78 SMN1; SMN2 (0.49) RAB9ANPC1TP53HPGDSMN1; SMN2
SCHEMBL2588687 0.78 NPC1 (0.66) RAB9ANPC1MAOBTP53HPGD
SCHEMBL12181651 0.76 SMO (0.50) RAB9ANPC1SMOTP53MAPT
SCHEMBL12181644 0.76 SMN1; SMN2 (0.56) RAB9ANPC1TP53HPGDSMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563759-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2022-04-06 — — EP disclosed
EP-2563759-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2022-04-06 — — EP disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
EP-2563759-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 — — EP disclosed
WO-2011139765-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-11-10 — — WO disclosed
WO-2011139765-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-11-10 — — 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 (3 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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMO 2189/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMO 2189/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMO 2189/4885

“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.

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