SCHEMBL863870

SCHEMBL863870

CCOC(=O)C(C)(C)CCCCCNc1cc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HCAR3 P49019 2/20 0.43
PTGER4 P35408 1/20 0.43
HTT P42858 1/20 0.42
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
LMNA P02545 3/20 0.40
PRSS1 P07477 2/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13496299 0.87 GUCY1A1 (0.53) MAPTKDM4ERECQLALDH1A1HCAR3
SCHEMBL865590 0.81 CYP4F2 (0.49) MAPTKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL1046521 0.78 HCAR3 (0.58) MAPTKDM4ERECQLALDH1A1RAB9A
SCHEMBL866327 0.77 MAPT (0.49) MAPTKDM4ERECQLALDH1A1RAB9A
SCHEMBL864476 0.77 GSTM2 (0.52) MAPTRECQLALDH1A1HCAR3LMNA
SCHEMBL864589 0.76 MAPT (0.54) MAPTKDM4ERECQLHCAR3LMNA
SCHEMBL14334902 0.75 MAPT (0.60) MAPTKDM4ERECQLALDH1A1RAB9A
SCHEMBL29959789 0.75 MAPT (0.60) MAPTKDM4ERECQLALDH1A1RAB9A
SCHEMBL864639 0.73 MAPT (0.61) MAPTKDM4ERECQLALDH1A1RAB9A
SCHEMBL864268 0.73 MAPT (0.58) MAPTKDM4ERECQLALDH1A1RAB9A

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 1942/4885RECQL 356/4885

“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.