SCHEMBL5568093

SCHEMBL5568093

O=C1Nc2ccc(Cl)cc2C12CC2c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 11/20 0.57
AURKB Q96GD4 8/20 0.57
ACHE P22303 2/20 0.46
FLT3 P36888 2/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2C9 P11712 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL1972820 0.92 PLK4 (0.63) PLK4AURKBACHEFLT3CYP2C19
SCHEMBL1974030 0.92 PLK4 (0.63) PLK4AURKBACHEFLT3CYP2C19
SCHEMBL1976930 0.92 PLK4 (0.63) PLK4AURKBACHEFLT3CYP2C19
SCHEMBL1975786 0.92 PLK4 (0.49) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL1973655 0.92 PLK4 (0.49) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL14547305 0.86 PLK4 (0.49) PLK4AURKBACHEFLT3CYP2C19
SCHEMBL1976224 0.82 PLK4 (0.46) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL1973312 0.82 PLK4 (0.46) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL14547307 0.81 AURKB (0.56) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL1973960 0.81 PLK4 (0.54) PLK4AURKBFLT3CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205328-B2 Aids viricide IRM LLC (BM) 2007-04-17 US disclosed
US-20040152755-A1 Oxindoles with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-05 US disclosed
WO-2004037247-A1 OXINDOLES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 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-20040152755-A1 Oxindoles with anti-HIV activity IDO1, API5, NFATC1 PLK4 1823/4885AURKB 1397/4885ACHE 2254/4885

“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.