SCHEMBL15314927

SCHEMBL15314927

CCCCc1oc2ccccc2c1C(=O)c1cc(F)c(OCCN(CC)CC)c(I)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 7/20 0.88
SIRT3 Q9NTG7 6/20 0.88
KDM7A Q6ZMT4 3/20 0.88
THRA P10827 3/20 0.88
THRB P10828 3/20 0.88
ALDH1A1 P00352 2/20 0.88
TP53 P04637 2/20 0.88
CYP3A4 P08684 2/20 0.88
SMN1; SMN2 Q16637 2/20 0.88
TDP1 Q9NUW8 2/20 0.88
ABCB1 P08183 2/20 0.88
MLNR O43193 1/20 0.88
CACNA1F O60840 1/20 0.88
PHF2 O75151 1/20 0.88
ABCB11 O95342 1/20 0.88
NR3C1 P04150 1/20 0.88
ERBB2 P04626 1/20 0.88
CYP1A2 P05177 1/20 0.88
FYN P06241 1/20 0.88
CHRM2 P08172 1/20 0.88

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
Amiodarone SCHEMBL29361787 0.94 SIRT3 (1.00) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL5496372 0.94 SIRT3 (1.00) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL16284 0.94 SIRT3 (1.00) KDM5ASIRT3KDM7ATHRATHRB
SCHEMBL15314906 0.94 KDM5A (0.80) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL12487240 0.94 SIRT3 (1.00) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL29362650 0.93 ALDH1A1 (1.00) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL28525007 0.93 SIRT3 (0.98) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL29173757 0.93 SIRT3 (0.98) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL29183902 0.93 SIRT3 (0.98) KDM5ASIRT3KDM7ATHRATHRB
Amiodarone SCHEMBL41348 0.93 ALDH1A1 (1.00) KDM5ASIRT3KDM7ATHRATHRB

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-9895340-B2 Fluorinated benzofuran derivatives SCIFLUOR LIFE SCIENCES, INC. (US) 2018-02-20 US disclosed
US-9895340-B2 Fluorinated benzofuran derivatives SCIFLUOR LIFE SCIENCES, INC. (US) 2018-02-20 US disclosed
US-20170189370-A1 FLUORINATED BENZOFURAN DERIVATIVES FELIQS CORPORATION (JP) 2017-07-06 US disclosed
US-20170189370-A1 FLUORINATED BENZOFURAN DERIVATIVES FELIQS CORPORATION (JP) 2017-07-06 US disclosed
US-9624189-B2 Fluorinated benzofuran derivatives SCIFLUOR LIFE SCIENCES, INC. (US) 2017-04-18 US disclosed
US-9624189-B2 Fluorinated benzofuran derivatives SCIFLUOR LIFE SCIENCES, INC. (US) 2017-04-18 US disclosed
US-20130274325-A1 Fluorinated Benzofuran Derivatives FELIQS CORPORATION (JP) 2013-10-17 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-20130274325-A1 Fluorinated Benzofuran Derivatives FABP3, TNNI3, TNNT2 KDM5A 2353/4885SIRT3 153/4885KDM7A 2972/4885
US-20170189370-A1 FLUORINATED BENZOFURAN DERIVATIVES FABP3, TNNI3, TNNT2 KDM5A 2353/4885SIRT3 153/4885KDM7A 2972/4885

“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.