SCHEMBL2595935

SCHEMBL2595935

O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 11/20 0.55
▸ PKM P14618 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ACR P10323 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ TYK2 P29597 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
SCHEMBL12181709 0.91 MEN1 (0.53) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL1702332 0.85 STIM1 (0.56) SMOMEN1NPC1RAB9AKMT2A
SCHEMBL2596001 0.83 IL2 (0.59) MAPTNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL29505146 0.83 IL2 (0.59) MAPTNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL16017217 0.82 ALDH1A1 (0.57) SMOMAPTACRMEN1NPC1
SCHEMBL16017253 0.82 STIM1 (0.43) SMOMAPTACRNPC1RAB9A
SCHEMBL16017272 0.82 STIM1 (0.43) SMOMAPTACRNPC1RAB9A
SCHEMBL12181716 0.81 STIM1 (0.52) NPC1MAPK1RAB9ATDP1JAK2
SCHEMBL14887576 0.81 SCN10A (0.44) MAPTACR
SCHEMBL14887584 0.81 STIM1 (0.42) MAPTACRJAK2TYK2

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 SMO 2189/4885PKM 1872/4885MAPT 1478/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMO 2189/4885PKM 1872/4885MAPT 1478/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMO 2189/4885PKM 1872/4885MAPT 1478/4885

“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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