SCHEMBL18388702

SCHEMBL18388702

N#Cc1ccc(-n2c3ccncc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGER4 P35408 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CYP2D6 P10635 1/20 0.37
USP14 P54578 3/20 0.36
CYP11B2 P19099 1/20 0.36
RORC P51449 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
RPS6KB1 P23443 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5021433 0.89 MAOA (0.50) MAOAMAOBACHEKDM4EATM
SCHEMBL17431092 0.89 MAOA (0.41) CYP19A1MAOAMAOBACHEKDM4E
SCHEMBL18347415 0.88 KDM4E (0.50) KDM4EATML3MBTL1PTGER4USP14
SCHEMBL8739919 0.88 KDM4E (0.50) KDM4EATML3MBTL1PTGER4USP14
SCHEMBL30709321 0.87 SLC22A12 (0.40) CYP19A1KDM4EATML3MBTL1PTGER4
SCHEMBL21046123 0.87 SLC22A12 (0.40) CYP19A1KDM4EATML3MBTL1PTGER4
SCHEMBL13866643 0.86 KDM4E (0.55) MAOAMAOBACHEKDM4EATM
SCHEMBL15977199 0.85 CYP19A1 (0.50) CYP19A1KDM4EATML3MBTL1PTGER4
SCHEMBL18347414 0.85 KDM4E (0.47) KDM4EATML3MBTL1PTGER4USP14
SCHEMBL25905707 0.85 KDM4E (0.47) KDM4EATML3MBTL1PTGER4USP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 CYP19A1 2096/4885MAOA 175/4885MAOB 55/4885

“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.