SCHEMBL20412918

SCHEMBL20412918

c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc(-n4c5ccncc5c5cnccc54)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.35
NPY5R Q15761 2/20 0.34
HDAC4 P56524 1/20 0.33
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31
TSPO P30536 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
SCHEMBL20412950 1.00 MAOA (0.36) MAOAMAOBACHEKDM4EATM
SCHEMBL19270001 0.98 MAOA (0.36) MAOAMAOBACHEKDM4EATM
SCHEMBL20412877 0.98 MAOA (0.36) MAOAMAOBACHEKDM4EATM
SCHEMBL19270928 0.98 MAOA (0.36) MAOAMAOBACHEKDM4EATM
SCHEMBL20412942 0.98 MAOA (0.36) MAOAMAOBACHEKDM4EATM
SCHEMBL19268798 0.96 KDM4E (0.40) MAOAMAOBACHEKDM4EATM
SCHEMBL20412928 0.95 CDK4 (0.35) MAOAMAOBACHEKDM4EATM
SCHEMBL20412938 0.94 MEN1 (0.33) MAOAMAOBACHEKDM4EATM
SCHEMBL18388829 0.92 DYRK1A (0.34) MAOAMAOBACHENPY5RMEN1
SCHEMBL20412890 0.92 MAOA (0.33) MAOAMAOBACHEKDM4EATM

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 1 patent. 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

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 MAOA 175/4885MAOB 55/4885ACHE 1237/4885

“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.