SCHEMBL864589

SCHEMBL864589

Cc1cc(NCCCCCCC(=O)O)c([N+](=O)[O-])cc1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HCAR3 P49019 3/20 0.50
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PRSS1 P07477 2/20 0.46
KAT2B Q92831 3/20 0.45
RECQL P46063 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL1838157 0.90 MAPT (0.50) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL1838155 0.90 MAPT (0.50) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL3380564 0.87 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL3380574 0.87 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL865328 0.86 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL865327 0.86 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL866568 0.85 LMNA (0.49) MAPTKMT2AHCAR3HPGDLMNA
SCHEMBL866569 0.85 LMNA (0.49) MAPTKMT2AHCAR3HPGDLMNA
SCHEMBL864476 0.85 GSTM2 (0.52) MAPTTDP1HCAR3LMNAPRSS1
SCHEMBL13496299 0.83 GUCY1A1 (0.53) MAPTHCAR3LMNAKDM4EPRSS1

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 7 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
CN-102176825-A Flavin derivatives BIORELIX PHARMACEUTICALS INC 2011-09-07 CN 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 4674/4885MEN1 4416/4885KMT2A 3259/4885

“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.