SCHEMBL10050429

SCHEMBL10050429

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TP53 P04637 1/20 0.41
MAPK14 Q16539 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
DHODH Q02127 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
SCN9A Q15858 3/20 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
SCHEMBL10050424 0.89 TP53 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10050418 0.88 MAPT (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10050427 0.85 TP53 (0.37) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10074702 0.81 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10050407 0.76 MAPK14 (0.40) MAPTALDH1A1MAPK14MAPK10SMN1; SMN2
SCHEMBL10050433 0.76 KDM4E (0.48) MAPTMAPK8MAPK9MAPK10SMN1; SMN2
SCHEMBL10050452 0.75 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10074509 0.74 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10050430 0.74 PIK3R1 (0.36) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL10050413 0.72 PIK3R1 (0.39) MAPTMAPK8MAPK9MAPK10DHODH

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 MEN1 658/4885KMT2A 1950/4885MAPT 4038/4885

“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.