SCHEMBL2083386

SCHEMBL2083386

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HTT P42858 2/20 0.40
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2083385 1.00 POLB (0.41) POLBHTTSTAT3ALDH1A1MAPT
SCHEMBL2083807 0.90 POLB (0.40) POLBHTTSTAT3ALDH1A1MAPT
SCHEMBL2083805 0.90 POLB (0.40) POLBHTTSTAT3ALDH1A1MAPT
SCHEMBL2081039 0.85 STAT3 (0.46) HTTSTAT3ALDH1A1MAPTSMN1; SMN2
SCHEMBL2081036 0.85 STAT3 (0.46) HTTSTAT3ALDH1A1MAPTSMN1; SMN2
SCHEMBL2078701 0.84 STAT3 (0.43) HTTSTAT3ALDH1A1MAPTLMNA
SCHEMBL2078703 0.84 STAT3 (0.43) HTTSTAT3ALDH1A1MAPTLMNA
SCHEMBL2081444 0.84 STAT3 (0.43) POLBHTTSTAT3ALDH1A1MAPT
SCHEMBL8542188 0.84 STAT3 (0.43) POLBHTTSTAT3ALDH1A1MAPT
SCHEMBL2081443 0.84 STAT3 (0.43) POLBHTTSTAT3ALDH1A1MAPT

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.