SCHEMBL2080477

SCHEMBL2080477

CCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(C)c(F)c(N)c([N+](=O)[O-])c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2080478 1.00 STAT3 (0.41) STAT3HTTTSHRCASP1MAPT
SCHEMBL2081443 0.92 STAT3 (0.43) STAT3HTTTSHRCASP1MAPT
SCHEMBL2081444 0.92 STAT3 (0.43) STAT3HTTTSHRCASP1MAPT
SCHEMBL8542188 0.92 STAT3 (0.43) STAT3HTTTSHRCASP1MAPT
SCHEMBL2082130 0.90 STAT3 (0.39) STAT3HTTTSHRCASP1MAPT
SCHEMBL2082129 0.90 STAT3 (0.39) STAT3HTTTSHRCASP1MAPT
SCHEMBL13483601 0.87 STAT3 (0.48) STAT3HTTTSHRCASP1MAPT
SCHEMBL4671582 0.86 STAT3 (0.46) STAT3HTTTSHRCASP1POLB
SCHEMBL2083649 0.84 STAT3 (0.41) STAT3HTTTSHRCASP1MAPT
SCHEMBL2083651 0.84 STAT3 (0.41) STAT3HTTTSHRCASP1MAPT

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 STAT3 3955/4885HTT 1371/4885TSHR 3264/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL STAT3 4101/4885HTT 1526/4885TSHR 3580/4885

“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.