SCHEMBL16572593

SCHEMBL16572593

O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cncc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ANO1 Q5XXA6 7/20 0.38
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36

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
SCHEMBL12155976 0.98 KDM4E (0.38) KDM4EALDH1A1LMNAANO1STIM1
SCHEMBL12241330 0.92 MEN1 (0.43) KDM4EALDH1A1LMNAANO1NPSR1
SCHEMBL12155945 0.90 MEN1 (0.43) KDM4EALDH1A1LMNAANO1NPSR1
SCHEMBL12241341 0.86 NPC1 (0.48) KDM4EALDH1A1LMNAFABP4FABP5
SCHEMBL12155955 0.85 IL2 (0.39) KDM4EALDH1A1LMNAANO1STIM1
SCHEMBL16572616 0.85 IL2 (0.40) KDM4EALDH1A1LMNAANO1NPSR1
SCHEMBL12155975 0.84 MEN1 (0.49) KDM4EALDH1A1LMNAFABP4FABP5
SCHEMBL12155971 0.83 IL2 (0.39) KDM4EALDH1A1LMNAANO1STIM1
SCHEMBL12241334 0.82 NPC1 (0.47) KDM4EALDH1A1LMNAANO1FABP4
SCHEMBL12241333 0.81 ALDH1A1 (0.42) KDM4EALDH1A1LMNAFABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KDM4E 4057/4885ALDH1A1 4409/4885LMNA 1306/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885ALDH1A1 4409/4885LMNA 1306/4885

“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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