SCHEMBL3465173

SCHEMBL3465173

O=C1c2ccccc2C(=O)N1CCCCCn1c(SC2=COC(c3ccccc3I)O2)nc2c(=O)[nH]cnc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TRAP1 Q12931 3/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3465438 0.88 TRAP1 (0.42) TRAP1
SCHEMBL3463717 0.88 HSP90AA1 (0.37) ALDH1A1
SCHEMBL3465017 0.81 KDM4E (0.32) HTTALDH1A1HPGD
SCHEMBL3465726 0.81 ALDH1A1 (0.33) TSHRKMT2AMEN1LMNAHTT
SCHEMBL3465171 0.77 TRAP1 (0.54) TRAP1
SCHEMBL3464862 0.77
SCHEMBL3464629 0.76 TRAP1 (0.45) TRAP1
SCHEMBL3122666 0.75 ADORA3 (0.37) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL3464950 0.74 HSP90AA1 (0.53)
SCHEMBL3466348 0.74 KMT2A (0.41) TSHRKMT2ALMNAALDH1A1SMN1; SMN2

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
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 TSHR 3642/4885KMT2A 4661/4885MEN1 4594/4885

“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.