SCHEMBL16017286

SCHEMBL16017286

Cc1cc2c(cc1-c1ccc(NC(=O)c3c4c(cn3C)CCCC4)cc1)OC(F)(F)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ NFKB1 P19838 3/20 0.37
▸ NFKB2 Q00653 3/20 0.37
▸ RELA Q04206 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ALDH1A1 P00352 5/20 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
SCHEMBL16017283 0.91 RAB9A (0.37) STIM1ORAI1NTRK1FLT3NTRK3
SCHEMBL16018240 0.88 STIM1 (0.48) SCN9ASTIM1ORAI1NTRK1FLT3
SCHEMBL16017216 0.82 STIM1 (0.40) SCN9ASTIM1ORAI1NTRK1FLT3
SCHEMBL16019812 0.82 MAPT (0.40) SCN9ASTIM1ORAI1NTRK1FLT3
SCHEMBL16018242 0.81 STIM1 (0.47) STIM1ORAI1NTRK1FLT3NTRK3
SCHEMBL16018211 0.79 STIM1 (0.47) STIM1ORAI1NTRK1FLT3NTRK3
SCHEMBL16017194 0.79 STIM1 (0.40) SCN9ASTIM1ORAI1NTRK1FLT3
SCHEMBL14881324 0.75 HTT (0.52) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16009312 0.75 ALDH1A1 (0.46) SCN9ASTIM1ORAI1SMN1; SMN2NPC1
SCHEMBL16018238 0.74 STIM1 (0.56) STIM1ORAI1NTRK1FLT3NTRK3

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SCN9A 235/4885STIM1 17/4885ORAI1 1/4885

“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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