SCHEMBL4929162

SCHEMBL4929162

c1cc2c(c3c1NCCC3)CCCN2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.55
GRIA2 P42262 1/20 0.55
GRIA3 P42263 1/20 0.55
GRIA4 P48058 1/20 0.55
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4510825 0.87 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL21187595 0.87 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL30158189 0.82 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL10854921 0.80 NOTUM (0.78) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL6780467 0.80 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL25374470 0.80 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL30542835 0.80 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL20898022 0.80 CA12 (0.45) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL9816066 0.80 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL31170822 0.80 NOTUM (0.78) GRIA1GRIA2GRIA3GRIA4NOTUM

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
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
WO-2008103320-A1 METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES NOVACEA, INC. (US) 2008-08-28 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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof RB1, BRCA1, CCNA1 GRIA1 2485/4885GRIA2 4020/4885GRIA3 3433/4885

“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.