SCHEMBL10074518

SCHEMBL10074518

N#CC(C#N)=C1c2ccccc2-c2nc3cc(Oc4ccc(C(F)(F)F)cc4)ccc3nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 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 0.39
SCN9A Q15858 3/20 0.37
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.37
PDK2 Q15119 1/20 0.36
DHFR P00374 6/20 0.34
CHEK2 O96017 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 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
SCHEMBL10074509 0.88 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL10074714 0.87 KDM4E (0.51) MEN1KMT2AKDM4EDHFR
SCHEMBL10050456 0.87 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL10074523 0.86 TP53 (0.37) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL10074515 0.85 KDM4E (0.41) ALDH1A1KDM4EKCNH2PDK2CYP2C19
SCHEMBL10074507 0.85 KDM4E (0.41) ALDH1A1KDM4EKCNH2PDK2CYP2C19
SCHEMBL10074522 0.83 TP53 (0.39) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL10074512 0.83 PIK3R1 (0.42) ALDH1A1MAPTKDM4ECYP2C19TRPV1
SCHEMBL10074513 0.81 TOP1 (0.43) ALDH1A1MAPTKDM4EKCNH2CYP2C19
SCHEMBL10075003 0.80 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ALMNA

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 ALDH1A1 1634/4885MEN1 658/4885MAPT 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.