SCHEMBL16939628

SCHEMBL16939628

N#Cc1ccc(-c2ccc(-c3cc(-c4cc(Br)cc(Br)c4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 8/20 0.56
▸ GABRA1 P14867 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ MYC P01106 1/20 0.50
▸ ABCB1 P08183 5/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ ALDH1A3 P47895 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL22549336 1.00 ABCG2 (0.56) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL22534545 0.94 ABCG2 (0.47) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL22534541 0.90 ABCG2 (0.49) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL22534539 0.90 ABCG2 (0.49) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL22534531 0.90 ABCG2 (0.52) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL22534567 0.90 ABCG2 (0.52) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL24406562 0.88 ABCG2 (0.61) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19920681 0.88 ABCG2 (0.61) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL23383851 0.88 ABCG2 (0.64) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL23383854 0.88 ABCG2 (0.64) ABCG2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020209679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-10-15 — — WO disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 — — US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 — — 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 (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-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO1A2 ABCG2 165/4885GABRA1 3643/4885GABRG2 4050/4885

“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.

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