SCHEMBL10062387

SCHEMBL10062387

COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(CO)cn(C3CC3)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.75
ALDH1A1 P00352 4/20 0.75
HPGD P15428 4/20 0.75
HSD17B10 Q99714 2/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
KCNH2 Q12809 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
POLB P06746 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
OPRM1 P35372 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TOP2A P11388 1/20 0.38

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
SCHEMBL28653434 0.90 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10061991 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL17211589 0.87 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL24007 0.87 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL12015472 0.87 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14010189 0.87 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL4774670 0.87 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL22273495 0.87 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL21783209 0.87 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL12156451 0.87 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877945-B2 Redox drug derivatives REDX PHARMA LIMITED (GB) 2014-11-04 US disclosed
US-20120077974-A1 REDOX DRUG DERIVATIVES REDX PHARMA PLC (GB) 2012-03-29 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-20120077974-A1 REDOX DRUG DERIVATIVES NOX4, AOX1, ALDH5A1 KDM4E 1523/4885ALDH1A1 5/4885HPGD 131/4885

“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.