SCHEMBL12958629

SCHEMBL12958629

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ IDO1 P14902 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ HAT1 O14929 1/20 0.32
▸ RBBP7 Q16576 1/20 0.32

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
SCHEMBL1051849 0.88 KDM4E (0.41) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL13965822 0.81 KDM4E (0.39) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL1051851 0.80 MEN1 (0.35) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL13965816 0.79 KCNH2 (0.37) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL1052311 0.78 MEN1 (0.61) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL13965819 0.77 PDE7A (0.35) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL13965827 0.77 KDM4E (0.39) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL13965817 0.76 KDM4E (0.34) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL13965821 0.73 OPRM1 (0.32) KDM4EMEN1KMT2AIDO1USP2
SCHEMBL12958622 0.73 MEN1 (0.59) KDM4EMEN1KMT2AIDO1USP2

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-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
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 4416/4885KMT2A 3259/4885

“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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