SCHEMBL12241544

SCHEMBL12241544

Cc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.54
▸ ORAI1 Q96D31 2/20 0.54
▸ RAB9A P51151 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ABL1 P00519 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ORAI2 Q96SN7 1/20 0.44
▸ SCN9A Q15858 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ DEGS1 O15121 2/20 0.42

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
SCHEMBL12155538 0.91 STIM1 (0.57) STIM1ORAI1RAB9ATP53SMN1; SMN2
SCHEMBL12241547 0.89 RAB9A (0.55) STIM1ORAI1RAB9ATP53TSHR
SCHEMBL17244771 0.88 STIM1 (0.57) STIM1ORAI1RAB9ATSHRSMN1; SMN2
SCHEMBL16572267 0.86 STIM1 (0.57) STIM1ORAI1RAB9ATP53TSHR
SCHEMBL12155518 0.83 STIM1 (0.56) STIM1ORAI1RAB9ATP53SMN1; SMN2
SCHEMBL16018235 0.83 STIM1 (0.53) STIM1ORAI1RAB9AABL1NPC1
SCHEMBL16018165 0.83 STIM1 (0.53) STIM1ORAI1RAB9AABL1NPC1
SCHEMBL12155804 0.83 STIM1 (0.55) STIM1ORAI1ABL1ORAI2SCN9A
SCHEMBL16018172 0.83 STIM1 (0.53) STIM1ORAI1RAB9ATP53SMN1; SMN2
SCHEMBL16018222 0.83 STIM1 (0.53) STIM1ORAI1RAB9ATP53SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (1 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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RAB9A 1174/4885

“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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