SCHEMBL5704396

SCHEMBL5704396

CCOC(=O)c1cn(C2CC2)c2c(F)c(Cl)c(F)cc2c1=O

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.64
TOP2A P11388 6/20 0.51
TOP2B Q02880 6/20 0.51
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
STAT3 P40763 1/20 0.48
KCNH2 Q12809 2/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL7575069 0.92 ADRB2 (0.61) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL29492858 0.91 ADRB2 (0.68) ADRB2TOP2ATOP2BALDH1A1STAT3
SCHEMBL2844967 0.91 ADRB2 (0.68) ADRB2TOP2ATOP2BALDH1A1STAT3
SCHEMBL25669900 0.91 ADRB2 (0.58) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL25669976 0.90 ADRB2 (0.57) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL10627001 0.89 ADRB2 (0.66) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL143605 0.89 ADRB2 (0.64) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL5704361 0.89 ADRB2 (0.56) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL30891261 0.89 ADRB2 (0.56) ADRB2TOP2ATOP2BALDH1A1POLB
SCHEMBL9693055 0.88 ADRB2 (0.65) ADRB2TOP2ATOP2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319656-B1 A NEW PROCESS FOR PREPARING A QUINOLONE-CARBOXYLIC ACID LYNCHEM CO LTD (CN) 2006-08-23 EP disclosed
US-6699992-B2 REACTING M-FLUOROACETOPHENONE COMPOUND WITH ALKYL CARBONATE; REACTING ESTER OBTAINED WITH ALKYL ORTHOFORMATE AND AMINE; CYCLIZATION IN BASE LYNCHEM CO., LTD. (CN) 2004-03-02 US disclosed
US-20030166936-A1 Process for preparing a quinolone-carboxylic acid LYNCHEM CO., LTD. (CN) 2003-09-04 US disclosed
EP-1319656-A1 A NEW PROCESS FOR PREPARING A QUINOLONE-CARBOXYLIC ACID Lynchem Co., Ltd. (CN) 2003-06-18 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 (1 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-20030166936-A1 Process for preparing a quinolone-carboxylic acid CYP4B1, QPCT, NQO2 ADRB2 1061/4885TOP2A 601/4885TOP2B 630/4885

“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.