SCHEMBL14770666

SCHEMBL14770666

Cc1ccc(C(O)c2nc3cc(OC(F)F)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.59
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.40
PDE2A O00408 5/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHEK2 O96017 1/20 0.38
PDE10A Q9Y233 2/20 0.37
PKM P14618 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL12065628 0.92 MLKL (0.47) MLKLALDH1A1HTTPDE2ANPC1
SCHEMBL14770699 0.90 MLKL (0.46) MLKLALDH1A1HTTCYP1A2PDE2A
SCHEMBL14770660 0.86 MLKL (0.42) MLKLALDH1A1HPGDHTTUSP2
SCHEMBL12065629 0.86 MLKL (0.41) MLKLHTTPDE2ANPSR1NPC1
SCHEMBL12066600 0.86 SCN10A (0.45) MLKLALDH1A1HPGDPDE2ANPSR1
SCHEMBL12065623 0.83 PRCP (0.43) MLKLHTTCYP1A2PDE2ANPC1
SCHEMBL12066577 0.81 MLKL (0.59) MLKLALDH1A1HPGDHTTUSP2
SCHEMBL14770477 0.81 MLKL (0.66) MLKLALDH1A1HPGDHTTUSP2
SCHEMBL14770690 0.79 MLKL (0.52) MLKLALDH1A1HTTCYP1A2NPC1
SCHEMBL12066573 0.79 SCN10A (0.46) MLKLPDE2AKMT2AKDM4EPDE10A

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.