SCHEMBL864476

SCHEMBL864476

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.52
PRSS1 P07477 3/20 0.49
KAT2B Q92831 3/20 0.48
MAPT P10636 3/20 0.48
HCAR3 P49019 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.44

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
SCHEMBL1046521 0.87 HCAR3 (0.58) PRSS1KAT2BMAPTHCAR3LMNA
SCHEMBL14377778 0.86 LMNA (0.49) KAT2BMAPTHCAR3LMNAALDH1A1
SCHEMBL864589 0.85 MAPT (0.54) PRSS1KAT2BMAPTHCAR3LMNA
SCHEMBL14334902 0.83 MAPT (0.60) KAT2BMAPTHCAR3LMNAALDH1A1
SCHEMBL29959789 0.83 MAPT (0.60) KAT2BMAPTHCAR3LMNAALDH1A1
SCHEMBL12959657 0.82 KAT2B (0.69) PRSS1KAT2BMAPTLMNAALDH1A1
SCHEMBL13496299 0.81 GUCY1A1 (0.53) PRSS1KAT2BMAPTHCAR3LMNA
SCHEMBL4863416 0.81 KAT2B (0.72) GSTM2PRSS1KAT2BMAPTHCAR3
SCHEMBL16479673 0.80 KMT2A (0.57) MAPTHCAR3LMNAALDH1A1TSHR
SCHEMBL3633382 0.80 HCAR3 (0.56) KAT2BMAPTHCAR3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP 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
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-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO 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 (2 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS GSTM2 2177/4885PRSS1 2425/4885KAT2B 4299/4885
US-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS GSTM2 2177/4885PRSS1 2425/4885KAT2B 4299/4885

“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.