SCHEMBL5445828

SCHEMBL5445828

O=[N+]([O-])c1cc(C(F)(F)F)cc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.62
HSP90AB1 P08238 1/20 0.62
PDE10A Q9Y233 1/20 0.58
MAPT P10636 8/20 0.56
ALDH1A1 P00352 8/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RELA Q04206 2/20 0.55
SLC40A1 Q9NP59 2/20 0.55
NFKBIA P25963 1/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 4/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 4/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.49

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
SCHEMBL26029324 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2476277 0.81 HSP90AA1 (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL30873750 0.81 PDE10A (0.55) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL29213964 0.81 PDE10A (0.55) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL11973817 0.79 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL4329054 0.78 MAPT (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL6634465 0.77 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2472343 0.77 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2227640 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL3557626 0.77 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1

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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR HSP90AA1 276/4885HSP90AB1 112/4885PDE10A 2141/4885

“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.