SCHEMBL12414732

SCHEMBL12414732

CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5c(C(C)C)cccc5C(C)C)cc5c6c(ccc(c7c(Oc8c(C(C)C)cccc8C(C)C)cc(c2c37)C1=O)c64)C(=O)N(c1c(CCC)cccc1C(C)C)C5=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 5/20 0.39
▸ DPP4 P27487 5/20 0.39
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL12414733 0.91 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3
SCHEMBL12482656 0.89 ANPEP (0.49) ANPEPDPP4NR1H2NR1H3
SCHEMBL12414747 0.88 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3
SCHEMBL12482639 0.86 ANPEP (0.48) ANPEPDPP4NR1H2NR1H3
SCHEMBL13521562 0.85 ANPEP (0.36) ANPEPDPP4
SCHEMBL12414744 0.85 ANPEP (0.36) ANPEPDPP4
SCHEMBL12505559 0.85 — —
SCHEMBL11954355 0.83 ANPEP (0.47) ANPEPDPP4NR1H2NR1H3
SCHEMBL19519319 0.83 ANPEP (0.39) ANPEPDPP4NR1H2NR1H3
SCHEMBL12414745 0.83 ANPEP (0.35) ANPEPDPP4NR1H2NR1H3

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 7 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
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2011-07-07 — — 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 (4 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 1737/4885NR1H2 4617/4885
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 1726/4885NR1H2 4670/4885
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885NR1H2 4617/4885
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885NR1H2 4617/4885

“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.

Send feedback