SCHEMBL2706771

SCHEMBL2706771

[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccccc2)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
PTBP1 P26599 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 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
SCHEMBL2705372 0.90 ALOX5 (0.38) ADORA1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL12114374 0.86 MEN1 (0.42) LMNAMEN1KMT2ASMN1; SMN2THRB
SCHEMBL2705370 0.85
SCHEMBL2706870 0.85 CTSS (0.40) ADORA1ADORA2A
SCHEMBL2705380 0.84 CTSS (0.38) ADORA1ADORA2A
SCHEMBL2704058 0.84 ESR1 (0.31) ESR2ESR1
SCHEMBL2706745 0.82 MEN1 (0.36) ADORA1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2706356 0.82
SCHEMBL2704130 0.82 ADORA1 (0.41) ADORA1ADORA2A
SCHEMBL2756295 0.82 LMNA (0.37) ADORA1LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170200899-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 US disclosed
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-08-04 US disclosed
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-28 US disclosed
US-20160204361-A1 CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT WHICH COMPRISES SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH MANUFACTURED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-07-14 US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
US-8088901-B2 Azaindenofluorenedione derivative, material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-01-03 US disclosed
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-12-24 US 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 (5 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-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND LEF1, L1CAM, OLA1 ADORA1 1417/4885LMNA 754/4885MEN1 1324/4885
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EFNA1, L1CAM, LEF1 ADORA1 956/4885LMNA 1243/4885MEN1 842/4885
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 ADORA1 1299/4885LMNA 2637/4885MEN1 1063/4885
US-20160204361-A1 CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT WHICH COMPRISES SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH MANUFACTURED USING SAME L1CAM, EPB41, EPX ADORA1 566/4885LMNA 1465/4885MEN1 2417/4885
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE OR10J3, RER1, L1CAM ADORA1 1362/4885LMNA 3163/4885MEN1 1180/4885

“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.