SCHEMBL18744673

SCHEMBL18744673

CCCC(N)c1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ THRA P10827 3/20 0.46
▸ THRB P10828 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ SCN1A P35498 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ MLNR O43193 1/20 0.46
▸ CACNA1F O60840 1/20 0.46
▸ PHF2 O75151 1/20 0.46
▸ ABCB11 O95342 1/20 0.46

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
SCHEMBL18744670 0.90 KDM5A (0.53) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL18744699 0.86 KDM5A (0.60) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL15313186 0.82 SIRT3 (0.66) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL18744672 0.81 EYA3 (0.43) CYP3A4THRBALDH1A1CYP1A2HRH3
SCHEMBL18744679 0.77 EYA3 (0.39) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL19879490 0.75 SIRT3 (0.59) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL18744671 0.74 KDM5A (0.46) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL18743965 0.73 EYA3 (0.58) SIRT3THRATHRBKDM5AKDM7A
SCHEMBL15313193 0.72 KDM5A (0.76) SIRT3CYP3A4THRATHRBALDH1A1
SCHEMBL15314890 0.72 SMPD1 (0.69) SIRT3CYP3A4THRATHRBALDH1A1

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-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-9624189-B2 Fluorinated benzofuran derivatives SCIFLUOR LIFE SCIENCES, INC. (US) 2017-04-18 — — 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-20170189370-A1 FLUORINATED BENZOFURAN DERIVATIVES FABP3, TNNI3, TNNT2 SIRT3 153/4885CYP3A4 89/4885THRA 4073/4885

“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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