SCHEMBL4014982

SCHEMBL4014982

COC(=O)c1cc(F)cc(N)c1-c1c(N)cc(F)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 7/20 0.47
GAA P10253 6/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 3/20 0.47
ABL1 P00519 1/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
IKBKB O14920 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL505595 0.85 KDM4E (0.49) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL913269 0.85 KDM4E (0.49) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL29579072 0.84 KDM4E (0.47) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL204027 0.84 KDM4E (0.47) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL3575890 0.84 KDM4E (0.47) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL25087071 0.82 KDM4E (0.50) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL15067775 0.82 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL31351347 0.82 CFTR (0.49) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL25612340 0.82 ABL1 (0.51) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL4018025 0.81 SLC6A4 (0.46) KDM4EALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH KDM4E 2915/4885ALDH1A1 1638/4885GAA 1042/4885

“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.