SCHEMBL14770497

SCHEMBL14770497

COc1ccc(C(OC2CCCCC2)c2nc3cc(F)ccc3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 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
SCHEMBL12065621 0.88 SCN10A (0.36) —
SCHEMBL12066053 0.81 MLKL (0.41) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770727 0.81 MLKL (0.39) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770499 0.79 MLKL (0.44) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770498 0.78 MLKL (0.39) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770729 0.78 MLKL (0.39) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770492 0.78 AMY1A (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL14770500 0.77 MLKL (0.38) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770728 0.77 ALPL (0.40) MLKLALDH1A1HPGDKDM4EMEN1
SCHEMBL14770470 0.77 MLKL (0.48) MLKLALDH1A1HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 — — US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 — — 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A MLKL 2378/4885ALDH1A1 4252/4885HPGD 1494/4885

“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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