SCHEMBL21729418

SCHEMBL21729418

CC(C)c1ccc2ncc(CN=O)n2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CLK1 P49759 6/20 0.33
DGAT1 O75907 1/20 0.33
EGLN1 Q9GZT9 1/20 0.31
RXRA P19793 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
TGFBR1 P36897 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL20125088 0.80 CYP1A2 (0.49) POLBCYP1A2CYP2C9TGFBR1
SCHEMBL17812869 0.78 POLB (0.64) POLBDGAT1MEN1KMT2ACYP1A2
SCHEMBL2259799 0.77 POLB (0.37) POLBCLK1RXRATGFBR1
SCHEMBL23775720 0.73 KDM4E (0.38) POLBCLK1DGAT1RXRACYP1A2
SCHEMBL13976120 0.73 LMNA (0.39) POLBCLK1DGAT1EGLN1RXRA
SCHEMBL22521532 0.73 TGFBR1 (0.41) POLBCLK1DGAT1RXRAEIF2AK4
SCHEMBL23872984 0.72 TGFBR1 (0.47) DGAT1CYP1A2CYP2C9TGFBR1
SCHEMBL22944713 0.71 NPC1 (0.35) POLBCLK1DGAT1CYP1A2CYP2C9
SCHEMBL23511269 0.71 DGAT1 (0.40) POLBCLK1DGAT1EGLN1CYP1A2
SCHEMBL20801795 0.71 TYR (0.39) CLK1DGAT1EGLN1RXRAEIF2AK4

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-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 POLB 1124/4885CLK1 1596/4885DGAT1 2127/4885

“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.