SCHEMBL864268

SCHEMBL864268

CCOC(=O)CCCCCCNc1cc(C(F)(F)F)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.42
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42
THRB P10828 1/20 0.42
HCAR3 P49019 2/20 0.41
RECQL P46063 1/20 0.41
PTGER4 P35408 1/20 0.41
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3380564 0.87 MAPT (0.47) MAPTKDM4EPOLBALDH1A1LMNA
SCHEMBL3380574 0.87 MAPT (0.47) MAPTKDM4EPOLBALDH1A1LMNA
SCHEMBL30039093 0.85 MAPT (0.61) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL864639 0.84 MAPT (0.61) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL864653 0.83 ALDH1A1 (0.46) MAPTKDM4EALDH1A1PTGER4CYP1A2
SCHEMBL864751 0.80 MAPT (0.57) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL8191816 0.80 MAPT (0.61) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL866327 0.77 MAPT (0.49) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL863627 0.77 ALDH1A1 (0.45) MAPTKDM4EPOLBALDH1A1
SCHEMBL8859451 0.77 MAPT (0.66) MAPTKDM4EPOLBALDH1A1RAB9A

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 5 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

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 1942/4885POLB 1461/4885

“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.