SCHEMBL2706745

SCHEMBL2706745

[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPAS1 Q99814 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
SCN5A Q14524 8/20 0.34
TRPA1 O75762 2/20 0.33
SCN9A Q15858 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL2704130 0.90 ADORA1 (0.41) ADORA1DHODH
SCHEMBL13373518 0.89 ALDH1A1 (0.39) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL2705681 0.85 KIF11 (0.36) MAOBDHODH
SCHEMBL16002411 0.85 LIPG (0.38) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL12148688 0.83 GPR3 (0.36) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL12114470 0.83 GPR3 (0.36) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL2706881 0.83 KIF11 (0.35) MAOB
SCHEMBL2706771 0.82 ADORA1 (0.33) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL2706779 0.82 CTSS (0.34)
SCHEMBL2706336 0.81 MAP2K4 (0.34)

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-8088901-B2 Azaindenofluorenedione derivative, material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-01-03 US disclosed
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-12-24 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-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 MEN1 1063/4885ALDH1A1 97/4885TP53 3018/4885

“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.