SCHEMBL16108140

SCHEMBL16108140

N#Cc1cccc(-c2cccc(C(=O)C(=O)C3CC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
KAT6A Q92794 1/20 0.47
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
GSK3B P49841 3/20 0.43
CLK4 Q9HAZ1 1/20 0.43
FFAR2 O15552 1/20 0.43
BRAF P15056 1/20 0.42
USP30 Q70CQ3 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IDO1 P14902 1/20 0.41
NOTUM Q6P988 1/20 0.41
SLC6A7 Q99884 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 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
SCHEMBL16108312 0.93 KAT6A (0.44) PAX8KAT6AXDHSLC22A12GSK3B
SCHEMBL16108586 0.87 ABL1 (0.49) PAX8XDHGSK3B
SCHEMBL16108333 0.87 RXFP1 (0.37) PAX8KAT6A
SCHEMBL17779977 0.82 KMO (0.55)
SCHEMBL17779981 0.81 P4HB (0.44) USP30PDE4D
SCHEMBL16108317 0.80 KAT6A (0.59) KAT6AXDHSLC22A12GSK3BCLK4
SCHEMBL2811741 0.77 GSK3B (0.56) PAX8GSK3BBRAFNOTUM
SCHEMBL5529069 0.77 XDH (0.62) KAT6AXDHSLC22A12GSK3BCLK4
SCHEMBL16108917 0.77 SUCNR1 (0.45) KAT6A
SCHEMBL4060948 0.75 KAT6A (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PAX8 4695/4885KAT6A 2175/4885XDH 394/4885

“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.