SCHEMBL3465846

SCHEMBL3465846

CCCCn1c(Sc2ccc3c(c2)OCO3)nc2c(=O)[nH]cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.45
HSP90AB1 P08238 11/20 0.45
USP2 O75604 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSP90B1 P14625 2/20 0.43
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TTR P02766 1/20 0.40
ERBB2 P04626 3/20 0.39
TRAP1 Q12931 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
PDE4A P27815 1/20 0.38
ADORA2A P29274 1/20 0.38
PDE4B Q07343 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
SCHEMBL3124105 0.85 HSP90AA1 (0.43) HSP90AA1HSP90AB1HTTTSHRNPSR1
SCHEMBL3466348 0.85 KMT2A (0.41) HSP90AA1HSP90AB1MAPTTSHRLMNA
SCHEMBL3463714 0.84 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL3465421 0.83 HSP90AA1 (0.66) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL3464514 0.79 ALDH1A1 (0.45) HSP90AA1HSP90AB1HSP90B1ERBB2ALDH1A1
SCHEMBL3465977 0.74 LMNA (0.41) HSP90AA1HSP90AB1USP2HTTMAPT
SCHEMBL3465134 0.73 MEN1 (0.39) HSP90AA1HSP90AB1USP2HTTMAPT
SCHEMBL5131899 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL5130186 0.72 HSP90AB1 (0.56) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL5142341 0.72 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1

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 HSP90AA1 3/4885HSP90AB1 1/4885USP2 2761/4885

“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.