SCHEMBL5704356

SCHEMBL5704356

COC(=O)c1cn(C2CC2)c2c(OC)c(Cl)c(F)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
KCNH2 Q12809 3/20 0.52
POLB P06746 2/20 0.52
OPRM1 P35372 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TOP2A P11388 1/20 0.47

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
SCHEMBL5704390 0.90 KDM4E (0.63) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL5704361 0.90 ADRB2 (0.56) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL30891261 0.90 ADRB2 (0.56) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL13790031 0.90 KDM4E (0.49) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL5792882 0.89 GSK3B (0.55) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL12427279 0.85 GSK3B (0.51) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL7646010 0.84 ALDH1A1 (0.47) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL9826814 0.84 ADRB2 (0.56) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL6706593 0.83 ALDH1A1 (0.46) GSK3BKDM4EALDH1A1HPGDKCNH2
SCHEMBL10153019 0.82 KDM4E (0.69) GSK3BKDM4EALDH1A1HPGDKCNH2

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 GSK3B 4162/4885KDM4E 941/4885ALDH1A1 95/4885

“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.