SCHEMBL16108317

SCHEMBL16108317

N#Cc1cccc(-c2cccc(C(=O)C(=O)c3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.59
XDH P47989 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
GSK3B P49841 2/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KMO O15229 1/20 0.49
PTPN5 P54829 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
IDO1 P14902 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL15209661 0.90 GSK3B (0.59) KAT6AGSK3BCES2CES1
SCHEMBL5529069 0.86 XDH (0.62) KAT6AXDHSLC22A12GSK3BCLK4
SCHEMBL16108338 0.82 KMO (0.69) KAT6AKMOCES2CES1HDAC8
SCHEMBL4060948 0.81 KAT6A (0.53) KAT6AXDHSLC22A12GSK3BCLK4
SCHEMBL7803345 0.81 XDH (0.60) KAT6AXDHSLC22A12GSK3BCLK4
SCHEMBL16108140 0.80 PAX8 (0.47) KAT6AXDHSLC22A12GSK3BCLK4
SCHEMBL270874 0.80 GABRG2 (0.61) XDHSLC22A12CLK4PTPN5GABRA1
SCHEMBL21887186 0.80 KMO (0.72) KAT6AKMOCES2CES1HDAC8
SCHEMBL29425207 0.80 GABRG2 (0.61) XDHSLC22A12CLK4PTPN5GABRA1
SCHEMBL254013 0.79 XDH (0.54) KAT6AXDHSLC22A12GSK3BCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 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-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE KAT6A 2175/4885XDH 394/4885SLC22A12 2721/4885

“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.