SCHEMBL12414745

SCHEMBL12414745

CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(CCC)cccc1C(C)C)C5=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ PTGDR Q13258 1/20 0.30
▸ ADRB2 P07550 2/20 0.30
▸ ADRB1 P08588 2/20 0.30
▸ ADRB3 P13945 2/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP12 P39900 1/20 0.30

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
SCHEMBL13521562 0.98 ANPEP (0.36) ANPEPDPP4
SCHEMBL12414742 0.93 KDM4E (0.33) ANPEPDPP4ADRB2ADRB1ADRB3
SCHEMBL12414733 0.92 ANPEP (0.38) ANPEPDPP4ADRB2ADRB1ADRB3
SCHEMBL12506421 0.91 KDM4E (0.34) ANPEPDPP4ADRB2ADRB1ADRB3
SCHEMBL12414728 0.86 MCL1 (0.33) ANPEPDPP4
SCHEMBL12414739 0.86 KDM4E (0.33) ANPEPDPP4ADRB2ADRB1ADRB3
SCHEMBL12414744 0.85 ANPEP (0.36) ANPEPDPP4
SCHEMBL15508935 0.84 NR1H2 (0.34) ANPEPDPP4PTGDRNR1H2MMP1
SCHEMBL13532263 0.84 ANPEP (0.33) ANPEPDPP4
SCHEMBL12414732 0.83 ANPEP (0.39) 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 8 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
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 1737/4885PSEN1 4833/4885
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 1726/4885PSEN1 4826/4885
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885PSEN1 4833/4885
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885PSEN1 4833/4885

“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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