SCHEMBL6706597

SCHEMBL6706597

COC(=O)c1cn(C2CC2)c2c(Br)c(N3CCN(C(C)=O)CC3)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
ALDH1A1 P00352 6/20 0.52
KCNH2 Q12809 5/20 0.48
HPGD P15428 4/20 0.47
POLB P06746 3/20 0.47
OPRM1 P35372 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
LMNA P02545 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRD1 P41143 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL6706227 0.90 KDM4E (0.53) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL6707758 0.89 ALDH1A1 (0.59) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL7026023 0.88 KDM4E (0.53) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL6710683 0.86 KDM4E (0.49) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL7101103 0.80 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10189384 0.79 KDM4E (0.61) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL10575667 0.78 ADRB2 (0.48) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL6710644 0.78 KDM4E (0.54) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL9826814 0.78 ADRB2 (0.56) KDM4EALDH1A1KCNH2HPGDPOLB
SCHEMBL10153019 0.77 KDM4E (0.69) KDM4EALDH1A1KCNH2HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040073030-A1 Process for the preparation of quinolone derivatives NATCO PHARMA LIMITED (IN) 2004-04-15 US 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-20040073030-A1 Process for the preparation of quinolone derivatives CBR1, CYP4X1, NRAS KDM4E 3682/4885ALDH1A1 1601/4885KCNH2 1152/4885

“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.