SCHEMBL865327

SCHEMBL865327

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HCAR3 P49019 5/20 0.46
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PRSS1 P07477 2/20 0.40
KAT2B Q92831 3/20 0.39
GAA P10253 1/20 0.39
SIRT5 Q9NXA8 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
SCHEMBL865328 1.00 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL864751 0.87 MAPT (0.57) MAPTHCAR3LMNAKDM4EGAA
SCHEMBL864589 0.86 MAPT (0.54) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL864175 0.86 MAPT (0.43) MAPTHCAR3LMNAKDM4EPRSS1
SCHEMBL1838155 0.81 MAPT (0.50) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL864917 0.81 KDM4E (0.40) MAPTKMT2ALMNAKDM4EPRSS1
SCHEMBL1838157 0.81 MAPT (0.50) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL2553696 0.80 MAPT (0.49) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL3380574 0.79 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3
SCHEMBL3380564 0.79 MAPT (0.47) MAPTMEN1KMT2ATDP1HCAR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 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 (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.