SCHEMBL1102825

SCHEMBL1102825

c1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4ncccc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
CYP3A4 P08684 5/20 0.45
AR P10275 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 6/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 3/20 0.42
PMP22 Q01453 3/20 0.42
ALOX15 P16050 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GMNN O75496 2/20 0.42
THPO P40225 2/20 0.42
TSHR P16473 2/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL21215611 0.86 LMNA (0.42) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL1102872 0.85 CCR1 (0.53) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL1103123 0.83 NPC1 (0.49) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL24621710 0.80 ALDH1A1 (0.46) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL23016157 0.80 NPC1 (0.45) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL29444813 0.80 CCR1 (0.59) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL2448839 0.80 CCR1 (0.59) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL20208145 0.78 CCR1 (0.44) LMNAALDH1A1CYP3A4CYP2D6KDM4E
SCHEMBL17491090 0.77 CCR1 (0.52) LMNAALDH1A1RAB9ANPC1CYP3A4
SCHEMBL17598971 0.77 LMNA (0.74) LMNAALDH1A1RAB9ANPC1CYP3A4

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 LMNA 2738/4885ALDH1A1 1015/4885RAB9A 3169/4885

“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.