SCHEMBL10050443

SCHEMBL10050443

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
PARP1 P09874 1/20 0.36
KCNH2 Q12809 4/20 0.33
TOP1 P11387 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATR Q13535 2/20 0.33
CHUK O15111 1/20 0.32
TXNRD1 Q16881 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TGFBR1 P36897 1/20 0.31
ALOX5AP P20292 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GSR P00390 1/20 0.31

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
SCHEMBL10050444 0.96 MAOB (0.37) MAOBPARP1KCNH2TOP1KDM4E
SCHEMBL10050473 0.88 PARP1 (0.38) MAOBPARP1KCNH2TOP1ATR
SCHEMBL10050446 0.87 ATR (0.36) MAOBCYP1A2POLBCYP2C19ATR
SCHEMBL10050445 0.86 ATR (0.40) MAOBPARP1ATRTGFBR1CDK5
SCHEMBL10050437 0.85 MYC (0.37) MAOBTOP1KDM4EALDH1A1CYP1A2
SCHEMBL10074366 0.85 MAOB (0.41) MAOBPARP1KCNH2TOP1KDM4E
SCHEMBL10050448 0.84 MAPT (0.34) MAOBTOP1KDM4EALDH1A1CYP1A2
SCHEMBL10050450 0.82 PIK3R1 (0.39) MAOBTOP1KDM4EALDH1A1CYP1A2
SCHEMBL10050458 0.81 ATR (0.40) MAOBPARP1ATRTGFBR1CDK5
SCHEMBL10074365 0.81 MAOB (0.41) MAOBPARP1KCNH2TOP1KDM4E

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 MAOB 1019/4885PARP1 2672/4885KCNH2 5/4885

“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.