SCHEMBL14770513

SCHEMBL14770513

COc1ccc(C(O)c2nc3ccc(Cl)nc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.43
GAA P10253 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CHEK2 O96017 1/20 0.40
AOC3 Q16853 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL14770520 0.85 BRS3 (0.38) GAATSHRMAPK1MEN1KMT2A
SCHEMBL12065652 0.84 MLKL (0.38) MLKLALDH1A1
SCHEMBL14770516 0.79 GAA (0.46) MLKLGAATSHRMAPK1CHEK2
SCHEMBL14770511 0.79 MEN1 (0.44) MLKLGAATSHRMAPK1CHEK2
SCHEMBL14770697 0.75 MLKL (0.51) MLKLGAATSHRMAPK1CHEK2
SCHEMBL14770661 0.74 MLKL (0.72) MLKLGAATSHRMAPK1MEN1
SCHEMBL14770690 0.74 MLKL (0.52) MLKLGAATSHRMAPK1CHEK2
SCHEMBL14770724 0.73 MEN1 (0.41) MLKLGAATSHRMAPK1CHEK2
SCHEMBL14770725 0.73 MEN1 (0.39) MLKLGAATSHRMAPK1CHEK2
SCHEMBL14770701 0.71 MLKL (0.49) MLKLGAATSHRMAPK1CHEK2

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 2378/4885GAA 3586/4885TSHR 730/4885

“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.