SCHEMBL3488271

SCHEMBL3488271

CN(C(=O)O)c1cc(Oc2cc(F)cc(F)c2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 2/20 0.40
BRAF P15056 2/20 0.36
HDAC1 Q13547 2/20 0.36
NR4A1 P22736 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
GCK P35557 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
HIF1A Q16665 1/20 0.34
KEAP1 Q14145 1/20 0.34
PPARG P37231 1/20 0.33
NR3C1 P04150 1/20 0.33
MGLL Q99685 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3488408 0.92 SMN1; SMN2 (0.35) VEGFABRAFHDAC1GCK
SCHEMBL3488933 0.92 ALDH1A1 (0.39) VEGFABRAFHDAC1NR4A1EGLN1
SCHEMBL3488382 0.91 EPAS1 (0.41) VEGFAHIF1APPARGSCN9A
SCHEMBL3488333 0.90 BRAF (0.44) BRAFHDAC1GCKHIF1AKEAP1
SCHEMBL3488808 0.86 SOS1 (0.42) BRAFHDAC1NR4A1FFAR4HIF1A
SCHEMBL3487710 0.84 MRGPRX4 (0.38) BRAFHDAC1NR4A1GCKFFAR4
SCHEMBL3487567 0.84 CHEK2 (0.39) BRAFHDAC1NR4A1GCKPPARG
SCHEMBL3488383 0.83 PARP10 (0.45) BRAFHDAC1NR4A1HDAC2LTA4H
SCHEMBL6543782 0.83 PARP10 (0.42) BRAFHDAC1NR4A1HDAC3HDAC4
SCHEMBL3488177 0.83 HSD17B1 (0.44) BRAFHDAC1NR4A1FFAR4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA VEGFA 2723/4885BRAF 1529/4885HDAC1 108/4885

“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.