SCHEMBL10050451

SCHEMBL10050451

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc3cc(Oc4ccc(C(F)(F)F)c(F)c4)ccc3nc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
AR P10275 3/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
SCN9A Q15858 4/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL10050453 0.89 TP53 (0.36) TP53ALDH1A1MEN1LMNAMAPT
SCHEMBL10050456 0.88 ALDH1A1 (0.36) TP53ALDH1A1MEN1LMNAMAPT
SCHEMBL10074523 0.88 TP53 (0.37) TP53ALDH1A1MEN1LMNAMAPT
SCHEMBL10050452 0.86 ALDH1A1 (0.38) TP53ALDH1A1MEN1LMNAMAPT
SCHEMBL10050467 0.83 PIK3R1 (0.33) ARPIK3R1PIK3CA
SCHEMBL10050449 0.82 PIK3R1 (0.39) ARPIK3R1PIK3CA
SCHEMBL10050465 0.80 KDM4E (0.46)
SCHEMBL10074707 0.78 TP53 (0.37) TP53ALDH1A1MEN1LMNAMAPT
SCHEMBL10050427 0.78 TP53 (0.37) TP53ALDH1A1MEN1LMNAMAPT
SCHEMBL2704127 0.77 RAB9A (0.34) TP53ALDH1A1MEN1MAPTKMT2A

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 TP53 4223/4885ALDH1A1 1634/4885MEN1 658/4885

“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.