SCHEMBL16939636

SCHEMBL16939636

N#Cc1ccc(-c2cc(-c3cccc(-c4cccc(Br)c4)c3)nc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.47
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ MGAM O43451 2/20 0.44
▸ SI P14410 2/20 0.44
▸ MGAM2 Q2M2H8 2/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ ABCB1 P08183 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 3/20 0.40

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
SCHEMBL16939625 0.97 ABCG2 (0.49) ABCG2CTSSCTSKGAAMGAM
SCHEMBL16939640 0.96 ABCG2 (0.48) ABCG2CTSSCTSKGAAMGAM
SCHEMBL16939626 0.93 CTSS (0.50) ABCG2CTSSCTSKADORA2AADORA1
SCHEMBL16939622 0.87 AHR (0.51) ABCG2GAAALDH1A1KMT2AMEN1
SCHEMBL16939642 0.85 AHR (0.45) ABCG2GAAALDH1A1KMT2AMEN1
SCHEMBL23594967 0.83 ALDH1A3 (0.50) ABCG2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22308782 0.83 ABCG2 (0.58) ABCG2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22113753 0.83 ABCG2 (0.58) ABCG2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22308783 0.83 ABCG2 (0.58) ABCG2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL23383792 0.83 ABCG2 (0.58) ABCG2ALDH1A1KMT2AMEN1ABCB1

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 ABCG2 165/4885CTSS 3482/4885CTSK 4016/4885

“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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