SCHEMBL10050418

SCHEMBL10050418

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(Oc4ccc(C(F)(F)F)cc4)ccc3nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 2/20 0.35
SCN9A Q15858 2/20 0.35
SCN7A Q01118 1/20 0.35
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
DHFR P00374 4/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL10050429 0.88 MEN1 (0.41) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL10050433 0.87 KDM4E (0.48) MAPTKDM4EMAPK8MAPK9MAPK10
SCHEMBL10050427 0.86 TP53 (0.37) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL10050414 0.85 PIK3R1 (0.39) MAPTKDM4EKCNH2MAPK8MAPK9
SCHEMBL10050413 0.85 PIK3R1 (0.39) MAPTKDM4EKCNH2MAPK8MAPK9
SCHEMBL10050424 0.83 TP53 (0.39) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL10050415 0.83 PIK3R1 (0.42) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL10075003 0.83 ALDH1A1 (0.39) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL10050430 0.79 PIK3R1 (0.36) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL10050456 0.76 ALDH1A1 (0.36) MAPTMEN1ALDH1A1KMT2ALMNA

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 MAPT 4038/4885MEN1 658/4885ALDH1A1 1634/4885

“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.