SCHEMBL2588687

SCHEMBL2588687

O=C(Nc1ccc(-c2cc3c(cc2Br)OCCO3)cc1)c1c(F)cccc1F

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.66
▸ RAB9A P51151 4/20 0.66
▸ TP53 P04637 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ IL2 P60568 9/20 0.49
▸ MAOB P27338 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ STIM1 Q13586 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.44

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
SCHEMBL2592609 0.93 NPC1 (0.66) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL29505090 0.93 NPC1 (0.66) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL15164985 0.89 NPC1 (0.55) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL12155931 0.84 NPC1 (0.52) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL15164958 0.81 SMN1; SMN2 (0.57) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL16323437 0.80 IL2 (0.47) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL15171252 0.78 RAB9A (0.42) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL2591409 0.78 RAB9A (0.56) NPC1RAB9ATP53SMN1; SMN2MAOB
SCHEMBL15164981 0.78 IL2 (0.56) NPC1RAB9ATP53SMN1; SMN2IL2
SCHEMBL1702038 0.78 SMN1; SMN2 (0.52) NPC1RAB9ATP53SMN1; SMN2IL2

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 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885

“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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