SCHEMBL10050374

SCHEMBL10050374

N#CN=C1c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
MAOB P27338 1/20 0.41
KDM1A O60341 1/20 0.40
NAAA Q02083 1/20 0.40
CTSK P43235 5/20 0.40
KIF11 P52732 1/20 0.40
PGR P06401 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
KCNH2 Q12809 2/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
XDH P47989 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
S1PR5 Q9H228 1/20 0.36
IDO1 P14902 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL10050376 0.88 RXRA (0.38) CTSSPARP10PARP11NAAACTSK
SCHEMBL10050369 0.86 KIF11 (0.47) CTSSCTSKKIF11ALDH1A1
SCHEMBL21371016 0.85 PARP10 (0.38) CTSSPARP10PARP11MAOBKDM1A
SCHEMBL15095669 0.83 NAAA (0.33) CTSSPARP10PARP11MAOBKDM1A
SCHEMBL10075005 0.81 FEN1 (0.44) KIF11
SCHEMBL10050371 0.81 EDNRB (0.42) KIF11PGR
SCHEMBL21370850 0.81 PARP10 (0.34) CTSSPARP10PARP11MAOBKDM1A
SCHEMBL10050378 0.80 TAAR1 (0.43) PARP10PARP11PGRKDM4E
SCHEMBL13190325 0.79 KIF11 (0.36) CTSSPARP10CTSKKIF11ALDH1A1
SCHEMBL10075602 0.77 CTSS (0.43) CTSSPARP10PARP11MAOBKDM1A

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 4 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-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
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 CTSS 2103/4885PARP10 3070/4885PARP11 2937/4885

“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.