SCHEMBL1051849

SCHEMBL1051849

CC(=O)OCn1c(=O)nc2n(CCN3CCC(C(=O)OCc4ccccc4)CC3)c3cc(C)c(C)cc3nc-2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EGFR P00533 2/20 0.39
▸ LTA4H P09960 1/20 0.37
▸ PDE6D O43924 2/20 0.37
▸ CCR8 P51685 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35

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
SCHEMBL12958629 0.88 KDM4E (0.46) KDM4EMEN1USP2MAPTIDO1
SCHEMBL1052767 0.83 MEN1 (0.56) KDM4EMEN1USP2MAPTIDO1
SCHEMBL1051851 0.78 MEN1 (0.35) KDM4EMEN1USP2MAPTIDO1
SCHEMBL13965822 0.72 KDM4E (0.39) KDM4EMEN1USP2MAPTIDO1
SCHEMBL13965816 0.69 KCNH2 (0.37) KDM4EMEN1USP2MAPTIDO1
SCHEMBL12959301 0.67 MEN1 (0.59) KDM4EMEN1USP2MAPTIDO1
SCHEMBL1052311 0.67 MEN1 (0.61) KDM4EMEN1USP2MAPTIDO1
SCHEMBL26454342 0.67 EGFR (0.59) EGFRLTA4HCCR8NPC1ALDH1A1
SCHEMBL12960017 0.67 MEN1 (0.60) KDM4EMEN1USP2MAPTIDO1
SCHEMBL1051294 0.66 MEN1 (0.54) KDM4EMEN1USP2MAPTIDO1

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
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
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KDM4E 1942/4885MEN1 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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