SCHEMBL16476439

SCHEMBL16476439

CC(=O)NCCn1c2nc(=O)n(CC[N+](C)(C)C)c(=O)c-2nc2cc(C)c(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SCD O00767 8/20 0.42
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 5/20 0.39
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 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
Bromide SCHEMBL17254518 0.99 KDM4E (0.42) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL14377117 0.89 KDM4E (0.44) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL15908041 0.88 MEN1 (0.43) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL16476452 0.86 KDM4E (0.42) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL15908087 0.83 KDM4E (0.40) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL19415820 0.82 KDM4E (0.41) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL15908096 0.82 KDM4E (0.41) KDM4EMEN1KMT2AUSP2MAPT
Bromide SCHEMBL15901676 0.81 KDM4E (0.40) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL22653180 0.81 BRD4 (0.42) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL16476446 0.81 KDM4E (0.43) KDM4EMEN1KMT2AUSP2MAPT

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
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
WO-2017167992-A1 PHOTOSENSITIVE DISPERSION AND USE THEREOF UNIVERSITÄT REGENSBURG (DE) 2017-10-05 — — WO 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

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 495/4885MEN1 2099/4885KMT2A 1148/4885

“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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