SCHEMBL16020574

SCHEMBL16020574

CCc1noc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.49
▸ ORAI1 Q96D31 6/20 0.49
▸ ORAI2 Q96SN7 1/20 0.43
▸ IL2 P60568 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLQ O75417 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL14885669 0.92 STIM1 (0.50) STIM1ORAI1ORAI2ALDH1A1SMN1; SMN2
SCHEMBL16020571 0.90 STIM1 (0.48) STIM1ORAI1ORAI2ALDH1A1SMN1; SMN2
SCHEMBL16019813 0.89 ALDH1A1 (0.44) STIM1ORAI1IL2ALDH1A1SMN1; SMN2
SCHEMBL14885676 0.87 STIM1 (0.53) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16018193 0.84 STIM1 (0.50) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL14885666 0.83 STIM1 (0.50) STIM1ORAI1ORAI2ALDH1A1SMN1; SMN2
SCHEMBL16018215 0.81 STIM1 (0.51) STIM1ORAI1ORAI2IL2ALDH1A1
SCHEMBL16020558 0.80 STIM1 (0.50) STIM1ORAI1ORAI2POLQSCN9A
SCHEMBL16019818 0.80 CYP1A2 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1701956 0.79 STIM1 (0.66) STIM1ORAI1ORAI2IL2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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