SCHEMBL2081925

SCHEMBL2081925

Cc1c(F)cc(O)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.41
TOP2B Q02880 9/20 0.41
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
STAT3 P40763 1/20 0.37
GSK3B P49841 1/20 0.36
CACNA1F O60840 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 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
SCHEMBL2081924 1.00 TOP2A (0.41) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL2082116 0.87 TOP2A (0.42) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL2082114 0.87 TOP2A (0.42) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL27564237 0.87 TOP2A (0.42) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL2081036 0.86 STAT3 (0.46) KDM4ESMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL2081039 0.86 STAT3 (0.46) KDM4ESMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL4747695 0.81 KCNH2 (0.48) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL10330769 0.80 TOP2A (0.53) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL7997875 0.80 GSK3B (0.45) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2
SCHEMBL8007897 0.80 GSK3B (0.45) TOP2ATOP2BKDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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 (2 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L TOP2A 376/4885TOP2B 1092/4885KDM4E 2484/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL TOP2A 228/4885TOP2B 555/4885KDM4E 2618/4885

“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.