SCHEMBL13965818

SCHEMBL13965818

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CCN(C)[C@H]3CCC[C@H]3C(=O)O)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GSR P00390 7/20 0.36
▸ TDP2 O95551 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 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
SCHEMBL12958663 0.86 MEN1 (0.55) KDM4EMEN1USP2MAPTIDO1
SCHEMBL19415772 0.79 KDM4E (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL13965822 0.77 KDM4E (0.39) KDM4EMEN1USP2MAPTIDO1
SCHEMBL864708 0.72 KDM4E (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL12958559 0.71 MEN1 (0.55) KDM4EMEN1USP2MAPTIDO1
SCHEMBL15909979 0.71 KDM4E (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL16476446 0.70 KDM4E (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL13965816 0.70 KCNH2 (0.37) KDM4EMEN1USP2MAPTIDO1
Iodide SCHEMBL17254512 0.69 KDM4E (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL13965827 0.69 KDM4E (0.39) 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 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 1942/4885MEN1 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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