Malonic Acid

Malonic Acid

SCHEMBL4829481

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1F.O=C(O)CC(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 6/20 0.45
EHMT1 Q9H9B1 6/20 0.45
BCL6 P41182 2/20 0.43
GALR1 P47211 4/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
IDH2 P48735 1/20 0.41
GALR2 O43603 3/20 0.40
AXL P30530 2/20 0.39
PTK2 Q05397 1/20 0.39
EGFR P00533 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
Succinic Acid SCHEMBL4835600 0.96 EHMT2 (0.44) EHMT2EHMT1BCL6GALR1AURKA
SCHEMBL4829436 0.94 EHMT2 (0.50) EHMT2EHMT1BCL6GALR1IDH2
Fumaric Acid SCHEMBL4836755 0.93 EHMT2 (0.44) EHMT2EHMT1BCL6GALR1AURKA
Maleic Acid SCHEMBL4835112 0.93 EHMT2 (0.44) EHMT2EHMT1BCL6GALR1AURKA
Bromide SCHEMBL6016985 0.93 EHMT2 (0.49) EHMT2EHMT1BCL6GALR1AURKA
Hydrochloric Acid SCHEMBL5550552 0.93 EHMT2 (0.49) EHMT2EHMT1BCL6GALR1AURKA
Citric Acid SCHEMBL4829665 0.92 EHMT2 (0.41) EHMT2EHMT1BCL6GALR1AURKA
Hydrochloric Acid SCHEMBL5550550 0.92 EHMT2 (0.49) EHMT2EHMT1BCL6GALR1AURKA
Hydrochloric Acid SCHEMBL5432850 0.91 EHMT2 (0.48) EHMT2EHMT1BCL6GALR1AURKA
Malonic Acid SCHEMBL4832223 0.91 BCL6 (0.49) EHMT2EHMT1BCL6IDH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 US disclosed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885BCL6 2097/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885BCL6 2097/4885

“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.