SCHEMBL16476446

SCHEMBL16476446

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CC[N+](C)(C)C)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GSR P00390 7/20 0.41
▸ TDP2 O95551 7/20 0.40
▸ KDM4C Q9H3R0 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MPI P34949 2/20 0.40

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 SCHEMBL17254512 0.99 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL15908041 0.91 MEN1 (0.43) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL15908087 0.86 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL15908096 0.85 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL27033894 0.84 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
Bromide SCHEMBL15901676 0.84 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL19415772 0.82 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL16476439 0.81 KDM4E (0.42) KDM4EMAPTHTTMEN1USP2
Bromide SCHEMBL17254518 0.80 KDM4E (0.42) KDM4EMAPTHTTMEN1USP2
SCHEMBL14399199 0.80 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2ALDH1A1GLAHPGD

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 495/4885SMN1; SMN2 3937/4885ALDH1A1 1162/4885

“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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