SCHEMBL13965816

SCHEMBL13965816

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CCN3CCC(C(=O)O)CC3)c2cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ USP2 O75604 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ACSL1 P33121 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ GSR P00390 2/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13965822 0.87 KDM4E (0.39) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL13965819 0.86 PDE7A (0.35) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL13965817 0.85 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL1048676 0.84 MEN1 (0.52) KCNH2KDM4EUSP2HPGDHSD17B10
SCHEMBL13965827 0.81 KDM4E (0.39) KDM4EUSP2HPGDHSD17B10ALDH1A1
SCHEMBL13965821 0.80 OPRM1 (0.32) KDM4EUSP2IDO1MEN1MAPT
SCHEMBL13965820 0.80 HTR2A (0.40) KDM4EHSD17B10NPSR1ALDH1A1IDO1
SCHEMBL12958629 0.79 KDM4E (0.46) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL1052311 0.76 MEN1 (0.61) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL1051294 0.74 MEN1 (0.54) KCNH2KDM4EUSP2HPGDHSD17B10

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 KCNH2 2989/4885KDM4E 1942/4885USP2 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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