SCHEMBL5249576

SCHEMBL5249576

O=C(O)c1ccc(-c2nc3nc4ccccc4nc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 6/20 0.61
HPGD P15428 6/20 0.61
KMT2A Q03164 5/20 0.61
EGLN1 Q9GZT9 1/20 0.55
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TNKS O95271 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL5249728 0.84 GAA (0.53) KDM4EALDH1A1HPGDKMT2AEGLN1
SCHEMBL5252061 0.78 TNKS (0.53) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL1664216 0.77 KDM4E (0.97) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL5943243 0.75 KDR (0.44) KDM4EALDH1A1HPGDGAAHDAC8
SCHEMBL5252814 0.75 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL11839052 0.73 ADORA3 (0.47) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL11829946 0.73 GAA (0.50) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL8804615 0.72 ALDH1A1 (0.71) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL1192941 0.71 EGLN1 (1.00) EGLN1
SCHEMBL14022277 0.71 PRMT5 (0.67) KDM4EALDH1A1HPGDKMT2AHPSE

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-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 EP disclosed
US-20060222607-A1 Tricyclic quinoxaline and quinoline derivatives as UV filters PFLUCKER FRANK 2006-10-05 US disclosed
US-7101537-B2 Tricyclic quinoxaline and quinoline derivatives as a UV filter MERCK PATENTGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter MERCK PATENT GMBH (DE) 2004-05-27 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 (2 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-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter CUTA, CYP1B1, TPH1 KDM4E 1646/4885ALDH1A1 289/4885HPGD 237/4885
US-20060222607-A1 Tricyclic quinoxaline and quinoline derivatives as UV filters RECQL, CUTA, NQO2 KDM4E 1602/4885ALDH1A1 682/4885HPGD 231/4885

“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.