SCHEMBL3408047

SCHEMBL3408047

Cc1cccc(-c2ccc3cc(-n4cccc4)ccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 9/20 0.53
▸ MAOB P27338 9/20 0.53
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ENPP3 O14638 1/20 0.38

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
SCHEMBL12313219 0.90 MAOA (0.42) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL12313223 0.89 MAOA (0.52) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL12313226 0.83 MAOA (0.50) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL12313217 0.83 MAOA (0.57) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL3296780 0.82 CYP1A2 (0.53) NPC1RAB9AKDM4ESMN1; SMN2BCHE
SCHEMBL12313246 0.82 RAB9A (0.43) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL27802880 0.80 MAOA (0.50) MAOAMAOBNPC1RAB9A
SCHEMBL12313235 0.80 RAB9A (0.41) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL12313249 0.80 RAB9A (0.41) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL12313221 0.78 MAOA (0.41) MAOAMAOBNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263237-B2 Red phosphorescent composition and organic electroluminescent device using the same LG DISPLAY CO., LTD (KR) 2012-09-11 — — US disclosed
US-8263237-B2 Red phosphorescent composition and organic electroluminescent device using the same LG DISPLAY CO., LTD (KR) 2012-09-11 — — US disclosed
US-8263237-B2 Red phosphorescent composition and organic electroluminescent device using the same LG DISPLAY CO., LTD (KR) 2012-09-11 — — US disclosed
US-20100102714-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2010-04-29 — — US disclosed
US-20100102714-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2010-04-29 — — US disclosed
US-20100102714-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2010-04-29 — — 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-20100102714-A1 Red phosphorescent compound and organic electroluminescent device using the same YTHDC1, IK, PYCR1 MAOA 3569/4885MAOB 3019/4885NPC1 2402/4885

“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.

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