SCHEMBL2083807

SCHEMBL2083807

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
HTT P42858 1/20 0.38
STAT3 P40763 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADRB2 P07550 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
GPR174 Q9BXC1 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 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
SCHEMBL2083805 1.00 POLB (0.40) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL2083385 0.90 POLB (0.41) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL2083386 0.90 POLB (0.41) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL2082137 0.85 STAT3 (0.41) HTTSTAT3ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2082138 0.85 STAT3 (0.41) HTTSTAT3ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2083649 0.85 STAT3 (0.41) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL2083651 0.85 STAT3 (0.41) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL2082129 0.82 STAT3 (0.39) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL2082130 0.82 STAT3 (0.39) POLBHTTSTAT3MAPTALDH1A1
SCHEMBL13483601 0.79 STAT3 (0.48) POLBHTTSTAT3MAPTALDH1A1

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 POLB 186/4885HTT 1371/4885STAT3 3955/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL POLB 85/4885HTT 1526/4885STAT3 4101/4885

“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.