SCHEMBL3858815

SCHEMBL3858815

O=C(OB(F)F)c1cn(C2CC2)c2c(OCF)cc(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
TOP2A P11388 6/20 0.38
TOP2B Q02880 6/20 0.38
KCNH2 Q12809 4/20 0.38
GSK3B P49841 1/20 0.35

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
SCHEMBL3262576 0.83 KDM4E (0.41) ADRB2ALDH1A1KDM4ECYP1A2TOP2A
SCHEMBL3131995 0.83 ADRB2 (0.46) ADRB2POLBALDH1A1CHRM2CHRM1
SCHEMBL2184241 0.76 ADRB2 (0.51) ADRB2POLBALDH1A1CHRM2CHRM1
SCHEMBL27629820 0.74 ALDH1A1 (0.46) ADRB2POLBALDH1A1CHRM2CHRM1
SCHEMBL3129389 0.74 KDM4E (0.51) ADRB2POLBALDH1A1OPRM1KDM4E
SCHEMBL13823486 0.73 KCNH2 (0.48) ADRB2POLBALDH1A1CHRM2CHRM1
SCHEMBL4717958 0.73 KDM4E (0.57) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL29433780 0.73 KDM4E (0.57) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL3137596 0.73 ADRB2 (0.44) ADRB2POLBALDH1A1CHRM2CHRM1
SCHEMBL13790031 0.73 KDM4E (0.49) ADRB2POLBALDH1A1CHRM2CHRM1

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-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 ADRB2 616/4885POLB 1377/4885ALDH1A1 1307/4885

“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.