SCHEMBL14378204

SCHEMBL14378204

CCCCCCCCCCCCCCCC[N+](C)(C)CCCn1c(=O)nc2n(CCCC)c3cc(C)c(C)cc3nc-2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ HPGD P15428 7/20 0.39
▸ GAA P10253 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ USP2 O75604 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ POLB P06746 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
Iodide SCHEMBL17254516 0.99 KDM4E (0.38) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15908096 0.88 KDM4E (0.41) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL16476444 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDGAAGLA
Bromide SCHEMBL15901676 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDGAAGLA
Iodide SCHEMBL17254509 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDGAAGLA
Iodide SCHEMBL29959754 0.86 KDM4E (0.39) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15908095 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15901247 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL16476450 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15908086 0.81 CYP1A2 (0.39) KDM4EALDH1A1HPGDGAAGLA

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
EP-2723743-B1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TRIOPTOTEC GMBH (DE) 2019-08-14 — — EP disclosed
EP-2723743-B1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TRIOPTOTEC GMBH (DE) 2019-08-14 — — EP disclosed
US-9185913-B2 10H-benzo[g]pteridine-2,4-dione derivatives, method for the production thereof, and use thereof TRIOPTOTEC GMBH (DE) 2015-11-17 — — US disclosed
US-20140200220-A1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TRIOPTOTEC GMBH (DE) 2014-07-17 — — US disclosed
WO-2012175730-A1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TriOpto Tec GmbH (DE) 2012-12-27 — — 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-20140200220-A1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF DHPS, DOHH, DPYD KDM4E 495/4885ALDH1A1 1162/4885HPGD 15/4885

“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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