SCHEMBL865234

SCHEMBL865234

O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3cc4c(cc3nc-2c(=O)[nH]1)OCCO4

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
▸ HAT1 O14929 4/20 0.73
▸ RBBP7 Q16576 4/20 0.73
▸ KDM4E B2RXH2 4/20 0.73
▸ HTT P42858 4/20 0.73
▸ TDP1 Q9NUW8 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
▸ HPGD P15428 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

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
SCHEMBL864581 1.00 KMT2A (0.73) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL14146654 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL5899262 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL30763333 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL2420598 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL12979917 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL13373926 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL7706 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL9609755 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7
Riboflavin SCHEMBL7707 0.85 MEN1 (1.00) KMT2AMEN1USP2HAT1RBBP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013040412-A2 METHODS FOR INHIBITING BACTERIA GROWTH BIORELIX, INC. (US) 2013-03-21 — — WO 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
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 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.

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