SCHEMBL3536089

SCHEMBL3536089

Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC(NC(=O)CO)C1CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.74
HSP90AB1 P08238 18/20 0.74
HDAC3 O15379 3/20 0.66
HDAC4 P56524 3/20 0.66
HDAC1 Q13547 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC2 Q92769 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC8 Q9BY41 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
ERBB2 P04626 1/20 0.61

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
SCHEMBL3127189 0.92 HSP90AA1 (0.74) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3532417 0.92 HSP90AA1 (0.73) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3125159 0.90 HSP90AA1 (0.71) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3118864 0.90 HSP90AA1 (0.70) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3113480 0.90 HSP90AA1 (0.70) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL13703478 0.89 HSP90AA1 (0.68) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3126051 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL13703479 0.89 HSP90AA1 (0.67) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL13703471 0.88 HSP90AA1 (0.66) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3518091 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1

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
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR HSP90AA1 659/4885HSP90AB1 501/4885HDAC3 423/4885

“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.