SCHEMBL3262576

SCHEMBL3262576

O=C(OB(F)F)c1cn(C2CC2)c2cc(OCF)c(OCF)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
TOP2A P11388 1/20 0.40
CYP2C9 P11712 1/20 0.40
TOP2B Q02880 1/20 0.40
ADRB2 P07550 1/20 0.35
PIK3CG P48736 5/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 3/20 0.34
PIK3R1 P27986 3/20 0.34
PIK3CA P42336 3/20 0.34

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
SCHEMBL3858815 0.83 ADRB2 (0.41) KDM4EALDH1A1CYP1A2TOP2ATOP2B
SCHEMBL3131995 0.78 ADRB2 (0.46) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL13315606 0.71 KCNH2 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL2184241 0.70 ADRB2 (0.51) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL14854484 0.70 PIK3CD (0.43) LMNAMAPTPIK3CGHRH3PIK3CD
SCHEMBL14842618 0.70 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9577810 0.69 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4306583 0.69 KMT2A (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL22506774 0.69 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13945289 0.69 ADRB2 (0.43) KDM4EALDH1A1HPGDHSD17B10TOP2A

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
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 KDM4E 2073/4885ALDH1A1 1307/4885LMNA 1351/4885

“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.