SCHEMBL12414747

SCHEMBL12414747

CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6c(C(C)C)cccc6C(C)C)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 5/20 0.38
▸ DPP4 P27487 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PRMT1 Q99873 1/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15942632 0.93 DPP4 (0.34) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL12414748 0.90 ANPEP (0.37) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL4909491 0.90 ANPEP (0.47) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL12414732 0.88 ANPEP (0.39) ANPEPDPP4NR1H2NR1H3
SCHEMBL6984121 0.81 ANPEP (0.41) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL12414733 0.79 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3ADRB2
SCHEMBL14003739 0.79 ANPEP (0.45) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL5014325 0.79 ANPEP (0.45) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL6986876 0.78 MCL1 (0.39) ANPEPDPP4ALDH1A1LMNAKDM4E
SCHEMBL13521564 0.78 ANPEP (0.39) ANPEPDPP4ALDH1A1KDM4EPOLB

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
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

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 1737/4885ALDH1A1 2538/4885
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885ALDH1A1 2538/4885
US-20140073059-A1 Azide Substituted Naphthylene or Rylene Imide Derivatives and their Use as Reagents in Click-Reactions NANS, NANP, GNE ANPEP 119/4885DPP4 1737/4885ALDH1A1 2538/4885

“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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