SCHEMBL16939622

SCHEMBL16939622

N#Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.51
▸ ABCG2 Q9UNQ0 3/20 0.50
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MYC P01106 2/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ USP2 O75604 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
SCHEMBL16939642 0.91 AHR (0.45) AHRABCG2MAOAMAOBALDH1A1
SCHEMBL13492147 0.91 ABCG2 (0.57) ABCG2MAOAMAOBALDH1A1KMT2A
SCHEMBL16939625 0.89 ABCG2 (0.49) AHRABCG2ALDH1A1KMT2AKDM4E
SCHEMBL20385208 0.89 AHR (0.57) AHRABCG2MAOAMAOBALDH1A1
SCHEMBL22534545 0.88 ABCG2 (0.47) AHRABCG2MAOBALDH1A1KMT2A
SCHEMBL16939640 0.88 ABCG2 (0.48) AHRABCG2ALDH1A1KMT2AKDM4E
SCHEMBL16939636 0.87 ABCG2 (0.47) AHRABCG2ALDH1A1KMT2AKDM4E
SCHEMBL2462062 0.84 AGTR1 (0.53) AHRALDH1A1KMT2AKDM4EMAPT
SCHEMBL16939626 0.83 CTSS (0.50) AHRABCG2ALDH1A1KMT2AKDM4E
SCHEMBL23594967 0.83 ALDH1A3 (0.50) ABCG2MAOAMAOBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AHR 79/4885ABCG2 165/4885MAOA 392/4885

“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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