SCHEMBL2081444

SCHEMBL2081444

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB2 P07550 1/20 0.36
MAPT P10636 5/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL8542188 1.00 STAT3 (0.43) STAT3HTTTSHRCASP1POLB
SCHEMBL2081443 1.00 STAT3 (0.43) STAT3HTTTSHRCASP1POLB
SCHEMBL13483601 0.93 STAT3 (0.48) STAT3HTTTSHRCASP1POLB
SCHEMBL2080477 0.92 STAT3 (0.41) STAT3HTTTSHRCASP1POLB
SCHEMBL2080478 0.92 STAT3 (0.41) STAT3HTTTSHRCASP1POLB
SCHEMBL2083651 0.90 STAT3 (0.41) STAT3HTTTSHRCASP1POLB
SCHEMBL2083649 0.90 STAT3 (0.41) STAT3HTTTSHRCASP1POLB
SCHEMBL7520230 0.88 ADRB2 (0.46) STAT3HTTTSHRCASP1POLB
SCHEMBL7510517 0.87 TOP2A (0.38) STAT3HTTPOLBALDH1A1KDM4E
SCHEMBL7510524 0.87 TOP2A (0.38) STAT3HTTPOLBALDH1A1KDM4E

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 11 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-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP 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-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-20020193591-A1 Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof DAIICHI PHARMACEUTICAL CO., LTD. 2002-12-19 US disclosed
EP-1167344-A1 PROCESS FOR PRODUCING 5-AMINO-8- ALKYLQUINOLO NECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES IN THE PRODUCTION THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 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 (3 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-20020193591-A1 Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof SQOR, XDH, SPOUT1 STAT3 2381/4885HTT 4804/4885TSHR 3254/4885
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.