SCHEMBL9890191

SCHEMBL9890191

c1ccc2c(c1)c1cnccc1n2-c1ccc2oc3c(ccc4c5cc(-n6c7ccccc7c7cnccc76)ccc5oc43)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ACHE P22303 2/20 0.42
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TOP2A P11388 1/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
NCOA1 Q15788 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 2/20 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
SCHEMBL9890198 0.93 AHR (0.33) MAOAMAOBACHE
SCHEMBL9890443 0.93 MAOA (0.39) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL9890188 0.92 KDM4E (0.36) MAOAMAOBACHEKDM4EATM
SCHEMBL13529136 0.91 CDK4 (0.33) MAOAMAOBACHECDK4CDK6
SCHEMBL9890194 0.91 CDK4 (0.33) MAOAMAOBACHECDK4CDK6
SCHEMBL5028377 0.90 MAOA (0.39) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL9890123 0.90 MAOA (0.43) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL9890373 0.88 MAOA (0.43) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL9890144 0.88 KDM4E (0.46) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL10042919 0.87 MAOA (0.42) MAOAMAOBACHECYP2D6KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-21 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 (2 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 MAOA 455/4885MAOB 771/4885ACHE 1339/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 MAOA 455/4885MAOB 771/4885ACHE 1339/4885

“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.