SCHEMBL13521564

SCHEMBL13521564

CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4ccc5c6ccc7c8c(ccc(c9ccc(c%10ccc(c2c3%10)C1=O)c4c59)c86)C(=O)N(c1ccc(S(=O)(=O)O)cc1)C7=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 4/20 0.39
▸ DPP4 P27487 4/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 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
SCHEMBL13521560 0.91 ANPEP (0.40) ANPEPDPP4CA12CA1CA2
SCHEMBL12414746 0.88 CA12 (0.37) ANPEPDPP4CA12CA1CA2
SCHEMBL13521562 0.83 ANPEP (0.36) ANPEPDPP4
SCHEMBL12414745 0.81 ANPEP (0.35) ANPEPDPP4NR1H2NR1H3
SCHEMBL15509053 0.80 CA9 (0.44) ANPEPDPP4CA12CA1CA2
SCHEMBL12414750 0.80 NPC1 (0.34) ANPEPDPP4CA12CA1CA2
SCHEMBL12414747 0.78 ANPEP (0.38) ANPEPDPP4POLBNR1H2NR1H3
SCHEMBL15942814 0.77 CA12 (0.48) ANPEPDPP4CA12CA1CA2
SCHEMBL12506421 0.77 KDM4E (0.34) ANPEPDPP4POLBKDM4EALDH1A1
SCHEMBL26763060 0.77 CA1 (0.61) CA12CA1CA2CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921558-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2014-12-30 — — US disclosed
US-8802852-B2 Azide substituted naphthylene or rylene imide derivatives and their use as reagents in click-reactions BASF SE (DE) 2014-08-12 — — US disclosed
US-20140080220-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions BASF SE (DE) 2014-03-20 — — US disclosed
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions BASF SE (DE) 2014-03-13 — — US disclosed
WO-2010010198-A2 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2010-01-28 — — WO disclosed
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2010-01-28 — — 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 (3 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-20140080220-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885CA12 1441/4885
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE ANPEP 106/4885DPP4 1726/4885CA12 1597/4885
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885CA12 1441/4885

“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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