SCHEMBL12155976

SCHEMBL12155976

O=C(Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1)c1c(F)cncc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ ANO1 Q5XXA6 7/20 0.36
▸ IL2 P60568 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16572593 0.98 KDM4E (0.39) KDM4EALDH1A1LMNASTIM1ORAI1
SCHEMBL12155945 0.92 MEN1 (0.43) KDM4EALDH1A1LMNAANO1IL2
SCHEMBL12241330 0.90 MEN1 (0.43) KDM4EALDH1A1LMNAANO1IL2
SCHEMBL16572616 0.87 IL2 (0.40) KDM4EALDH1A1LMNAANO1IL2
SCHEMBL12155975 0.86 MEN1 (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL12155971 0.85 IL2 (0.39) KDM4EALDH1A1LMNASTIM1ORAI1
SCHEMBL12241341 0.84 NPC1 (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL12155955 0.83 IL2 (0.39) KDM4EALDH1A1LMNASTIM1ORAI1
SCHEMBL12155983 0.82 MEN1 (0.48) KDM4EALDH1A1LMNAANO1MEN1
SCHEMBL12155951 0.81 ALDH1A1 (0.40) KDM4EALDH1A1LMNAMEN1KMT2A

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 7 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
WO-2011139489-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 (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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