SCHEMBL16476438

SCHEMBL16476438

CCCCn1c2nc(=O)n(C)c(=O)c-2nc2cc(C)c(C[N+](CC)(CC)CC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 9/20 0.41
▸ SIRT1 Q96EB6 1/20 0.39
▸ TDP2 O95551 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GALK1 P51570 3/20 0.36
▸ BLM P54132 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ ATG4B Q9Y4P1 3/20 0.36
▸ PTPN22 Q9Y2R2 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ MPI P34949 2/20 0.36
▸ RIN1 Q13671 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ HTT P42858 2/20 0.36

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
SCHEMBL15908046 0.87 ALDH1A1 (0.36) HSF1SIRT1KDM4EMAPTSMN1; SMN2
SCHEMBL15909984 0.86 ALDH1A1 (0.36) HSF1SIRT1KDM4EPOLBMAPT
SCHEMBL15908038 0.82 CYP1A2 (0.34) KDM4EMAPTSMN1; SMN2HTTCASP6
SCHEMBL16476444 0.79 KDM4E (0.40) SIRT1KDM4EMAPTSMN1; SMN2L3MBTL1
Iodide SCHEMBL29959754 0.78 KDM4E (0.39) SIRT1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL16479714 0.77 KDM4E (0.46) SIRT1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL16476445 0.75 KDM4E (0.37) KDM4EPOLBMAPTSMN1; SMN2L3MBTL1
Iodide SCHEMBL17254509 0.74 KDM4E (0.37) KDM4EPOLBMAPTSMN1; SMN2L3MBTL1
SCHEMBL15908096 0.73 KDM4E (0.41) SIRT1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL16476446 0.73 KDM4E (0.43) SIRT1TDP2KDM4EPOLBMAPT

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 HSF1 3248/4885SIRT1 238/4885TDP2 220/4885

“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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