SCHEMBL13965827

SCHEMBL13965827

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CCN3CCC(C(=O)OC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HTR2A P28223 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALOX15 P16050 2/20 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
SCHEMBL12959301 0.85 MEN1 (0.59) KDM4EMAPTHTTMEN1USP2
SCHEMBL13965822 0.84 KDM4E (0.39) KDM4EMAPTHTTMEN1USP2
SCHEMBL13965821 0.81 OPRM1 (0.32) KDM4EMAPTHTTMEN1USP2
SCHEMBL13965816 0.81 KCNH2 (0.37) KDM4EMAPTHTTMEN1USP2
SCHEMBL13965819 0.79 PDE7A (0.35) KDM4EMAPTHTTMEN1USP2
SCHEMBL12959641 0.78 SMN1; SMN2 (0.35) KDM4EMAPTHTTMEN1USP2
SCHEMBL13965817 0.77 KDM4E (0.34) KDM4EMAPTMEN1USP2KMT2A
SCHEMBL12958629 0.77 KDM4E (0.46) KDM4EMAPTHTTMEN1USP2
SCHEMBL1051849 0.75 KDM4E (0.41) KDM4EMAPTHTTMEN1USP2
SCHEMBL12960017 0.73 MEN1 (0.60) KDM4EMAPTHTTMEN1USP2

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KDM4E 1942/4885MAPT 4674/4885HTT 3795/4885

“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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