SCHEMBL6099552

SCHEMBL6099552

O=C1c2c(c(O)c3ccccc3c2O)C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.55
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RGS12 O14924 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.43
UBE2N P61088 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NQO1 P15559 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6101344 0.86 CASP3 (0.45) CASP3CYP1A2CYP2C19CA12CA1
SCHEMBL4150453 0.84 CYP1A2 (0.54) CASP3CYP1A2CYP2C19LMNAKMT2A
SCHEMBL14260126 0.80 CYP1A2 (0.50) CASP3CYP1A2CYP2C19LMNAKMT2A
SCHEMBL4150996 0.79 CYP1A2 (0.51) CASP3CYP1A2CYP2C19CA12CA1
SCHEMBL4689945 0.78 CASP3 (0.40) CASP3CYP1A2CYP2C19CA12CA1
SCHEMBL14260606 0.78 CYP1A2 (0.42) CASP3CYP1A2CYP2C19CA12CA1
SCHEMBL2288506 0.77 CASP3 (0.39) CASP3CYP1A2CYP2C19CA12CA1
SCHEMBL14259950 0.77 CYP1A2 (0.43) CASP3CYP1A2CYP2C19LMNAUSP2
SCHEMBL6099928 0.77 THRB (0.42) CASP3CYP1A2CYP2C19LMNAMEN1
SCHEMBL4652185 0.77 CYP1A2 (0.50) CASP3CYP1A2CYP2C19LMNAKMT2A

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CASP3 3629/4885CYP1A2 29/4885CYP2C19 19/4885

“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.