SCHEMBL866569

SCHEMBL866569

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
HCAR3 P49019 4/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.43
PTGER4 P35408 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL866568 1.00 LMNA (0.49) LMNAHCAR3MAPTALDH1A1RECQL
SCHEMBL10251807 0.85 MAPT (0.44) LMNAHCAR3MAPTALDH1A1RECQL
SCHEMBL864589 0.85 MAPT (0.54) LMNAHCAR3MAPTRECQLKDM4E
SCHEMBL16479673 0.83 KMT2A (0.57) LMNAHCAR3MAPTALDH1A1RECQL
SCHEMBL14377778 0.81 LMNA (0.49) LMNAHCAR3MAPTALDH1A1RECQL
SCHEMBL15666204 0.77 LMNA (0.79) LMNAHCAR3MAPTALDH1A1RECQL
SCHEMBL1838157 0.76 MAPT (0.50) LMNAHCAR3MAPTALDH1A1KDM4E
SCHEMBL1838155 0.76 MAPT (0.50) LMNAHCAR3MAPTALDH1A1KDM4E
SCHEMBL865328 0.74 MAPT (0.47) LMNAHCAR3MAPTKDM4ESIRT5
SCHEMBL865327 0.74 MAPT (0.47) LMNAHCAR3MAPTKDM4ESIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 3529/4885HCAR3 1420/4885MAPT 4674/4885

“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.