SCHEMBL1102957

SCHEMBL1102957

CN1c2ccccc2C=Cc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)N(C)c4ccccc4C=C5)c4ncccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.34
NPC1 O15118 3/20 0.32
HTT P42858 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
RECQL P46063 2/20 0.32
RAB9A P51151 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TACR1 P25103 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HSP90AA1 P07900 1/20 0.31
NSD2 O96028 1/20 0.30
LMNA P02545 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL1102886 0.84 HTT (0.32) COMTHTT
SCHEMBL1102778 0.81 P2RX4 (0.35) NPC1HTTKDM4EMEN1POLB
SCHEMBL1102964 0.79 KMT2A (0.36) COMTHTTKDM4EPOLBMAPT
SCHEMBL1103351 0.77 PDPK1 (0.34) NPC1HTTKDM4EMEN1POLB
SCHEMBL13488288 0.75 MEN1 (0.39) NPC1HTTKDM4EMEN1POLB
SCHEMBL13488291 0.74 MEN1 (0.38) NPC1HTTKDM4EMEN1POLB
SCHEMBL1102877 0.74 HTT (0.35) COMTNPC1HTTKDM4EMEN1
SCHEMBL13488284 0.72 AKT1 (0.39) NPC1HTTKDM4EMEN1POLB
SCHEMBL1102992 0.72 GPR3 (0.46) NPC1HTTKDM4EMEN1POLB
SCHEMBL1102946 0.72 ALDH1A1 (0.39) COMTNPC1HTTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 COMT 435/4885NPC1 1582/4885HTT 4390/4885

“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.