SCHEMBL864704

SCHEMBL864704

Cc1cc([N+](=O)[O-])c(NCCCCCCC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.39
HCAR3 P49019 2/20 0.39
BCL6 P41182 1/20 0.39
BCOR Q6W2J9 1/20 0.39
PRSS1 P07477 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KAT2B Q92831 3/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL866327 0.91 MAPT (0.49) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL864639 0.87 MAPT (0.61) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL13496368 0.85 MAPT (0.48) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL1838155 0.84 MAPT (0.50) MAPTKDM4EALDH1A1HCAR3BCL6
SCHEMBL1838157 0.84 MAPT (0.50) MAPTKDM4EALDH1A1HCAR3BCL6
SCHEMBL864175 0.84 MAPT (0.43) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL26869713 0.83 KAT2B (0.58) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL864853 0.82 KDM4E (0.46) MAPTKDM4EALDH1A1PRSS1GAA
SCHEMBL26870037 0.81 MAPT (0.67) MAPTKDM4EALDH1A1POLBHCAR3
SCHEMBL30289547 0.80 MAPT (0.44) MAPTKDM4EALDH1A1POLBHCAR3

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 4 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
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 1942/4885ALDH1A1 807/4885

“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.