SCHEMBL1102658

SCHEMBL1102658

c1ccc(-c2c3ccccc3c(N3c4ccccc4Sc4ccccc43)c3cnccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNF P01375 1/20 0.34
ALOX5 P09917 1/20 0.34
MAOA P21397 2/20 0.33
MAP2 P11137 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
BCHE P06276 1/20 0.32
MAOB P27338 1/20 0.32

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 0.90 ACHE (0.45) ACHEGRIN1GRIN2ASMN1; SMN2CYP1A2
SCHEMBL1102955 0.85 CYP17A1 (0.39) ACHEGRIN1GRIN2ASMN1; SMN2CYP1A2
SCHEMBL1102651 0.84 CYP11B1 (0.36) CYP3A4TNFALOX5MAP2
SCHEMBL1102891 0.83 ALOX5 (0.36) ACHESMN1; SMN2IDO1TNFALOX5
SCHEMBL1102855 0.82 TNF (0.40) ACHEGRIN1GRIN2ASMN1; SMN2CYP1A2
SCHEMBL1102773 0.82 ALOX5 (0.33) TNFALOX5MAP2
SCHEMBL1102874 0.81 LMNA (0.33) CYP1A2CYP3A4CYP2D6GAATNF
SCHEMBL1103070 0.80 KMT2A (0.36) ACHESMN1; SMN2MAOANOX1BCHE
SCHEMBL13158599 0.80 BCHE (0.38) ACHEMAPTL3MBTL1MAOAHDAC6
SCHEMBL1102768 0.77 ACHE (0.37) ACHEGRIN1GRIN2ASMN1; SMN2CYP1A2

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 ACHE 1080/4885GRIN1 3646/4885GRIN2A 3636/4885

“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.