SCHEMBL1102737

SCHEMBL1102737

c1ccc(-c2c3ccccc3c(-c3ccccn3)c3ncccc23)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 4/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
METAP1 P53582 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
NPC1 O15118 7/20 0.45
TP53 P04637 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL1103020 0.89 CYP2A6 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29769628 0.87 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17008146 0.87 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1103219 0.83 KDM4E (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1102911 0.81 HSP90AA1 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1103166 0.81 SMN1; SMN2 (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1102872 0.78 CCR1 (0.53) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1102825 0.77 LMNA (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19275963 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12655787 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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 KDM4E 3367/4885LMNA 2738/4885CCR1 1341/4885

“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.