SCHEMBL1102855

SCHEMBL1102855

c1ccc2c(c1)Sc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
BCHE P06276 6/20 0.38
SLC6A3 Q01959 1/20 0.38
ACHE P22303 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL1102506 0.85 ACHE (0.45) BCHEACHEGRIN1GRIN2ASMN1; SMN2
SCHEMBL1102915 0.85 TNF (0.40) TNFBCHEPOLBSMN1; SMN2CYP2D6
SCHEMBL1102713 0.84 TNF (0.39) TNFBCHEPOLBSMN1; SMN2IKBKE
SCHEMBL1102819 0.82 TNF (0.40) TNFBCHEPOLBSMN1; SMN2IKBKE
SCHEMBL1102910 0.82 TNF (0.37) TNFBCHEPOLBSMN1; SMN2IKBKE
SCHEMBL1102658 0.82 ACHE (0.40) TNFBCHEACHEGRIN1GRIN2A
SCHEMBL1103241 0.82 BCHE (0.38) BCHESLC6A3ACHEPOLBCYP2D6
SCHEMBL1102955 0.81 CYP17A1 (0.39) BCHESLC6A3ACHEGRIN1GRIN2A
SCHEMBL1103607 0.79 BCHE (0.36) BCHESLC6A3ACHEPOLBCYP2D6
SCHEMBL1103691 0.78 TNF (0.56) TNFBCHESMN1; SMN2CYP2D6CYP1A2

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 TNF 3803/4885BCHE 1355/4885SLC6A3 4197/4885

“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.