SCHEMBL864767

SCHEMBL864767

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NCCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
MEN1 O00255 7/20 0.73
USP2 O75604 4/20 0.73
KDM4E B2RXH2 4/20 0.73
HAT1 O14929 4/20 0.73
RBBP7 Q16576 4/20 0.73
HTT P42858 4/20 0.73
RECQL P46063 3/20 0.73
CASP7 P55210 3/20 0.73
MAPT P10636 3/20 0.73
CASP1 P29466 2/20 0.73
BRCA1 P38398 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TST Q16762 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
LMNA P02545 1/20 0.73
HBB P68871 1/20 0.73
ALDH1A1 P00352 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73

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
SCHEMBL864776 1.00 KMT2A (0.73) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL865256 0.91 MEN1 (0.79) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL865140 0.90 MEN1 (0.76) KMT2AMEN1USP2KDM4EHAT1
Riboflavin SCHEMBL5991520 0.89 MEN1 (0.89) KMT2AMEN1USP2KDM4EHAT1
Riboflavin SCHEMBL5991517 0.89 MEN1 (0.89) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL864584 0.89 MEN1 (0.67) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL864239 0.89 MEN1 (0.67) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL865866 0.88 MEN1 (0.73) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL863514 0.88 MEN1 (0.73) KMT2AMEN1USP2KDM4EHAT1
SCHEMBL865609 0.88 MEN1 (0.73) KMT2AMEN1USP2KDM4EHAT1

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 KMT2A 3259/4885MEN1 4416/4885USP2 3808/4885

“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.