SCHEMBL864175

SCHEMBL864175

Cc1cc([N+](=O)[O-])c(NCCCCCCC(=O)OC(C)(C)C)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HCAR3 P49019 4/20 0.39
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.36
PRSS1 P07477 2/20 0.36
LMNA P02545 1/20 0.36
KAT2B Q92831 3/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL864751 0.88 MAPT (0.57) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL866327 0.88 MAPT (0.49) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL865328 0.86 MAPT (0.47) MAPTKDM4EHCAR3PRSS1LMNA
SCHEMBL865327 0.86 MAPT (0.47) MAPTKDM4EHCAR3PRSS1LMNA
SCHEMBL865614 0.84 KDM4E (0.43) MAPTKDM4EALDH1A1EPHX2PRSS1
SCHEMBL864704 0.84 MAPT (0.46) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL13496368 0.82 MAPT (0.48) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL26869713 0.79 KAT2B (0.58) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL10251807 0.79 MAPT (0.44) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL26870037 0.77 MAPT (0.67) MAPTKDM4EALDH1A1HCAR3POLB

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-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MAPT 4674/4885KDM4E 1942/4885ALDH1A1 807/4885

“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.