SCHEMBL4101347

SCHEMBL4101347

COC(=O)c1ccc(Cn2c3ccccc3c3cc(C#N)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC10 Q969S8 1/20 0.51
RORC P51449 7/20 0.51
HDAC3 O15379 1/20 0.49
AR P10275 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL1002975 0.86 HDAC6 (0.67) HDAC6HDAC1HDAC10HDAC3HDAC8
SCHEMBL13011271 0.83 ROCK2 (0.51) HDAC6HDAC1HDAC10RORCHDAC3
SCHEMBL5438238 0.80 P2RX4 (0.66) HDAC6HDAC1HDAC10HDAC3HDAC8
SCHEMBL20604653 0.79 MAPK10 (0.51) HDAC6HDAC1HDAC10HDAC3HDAC8
SCHEMBL1605499 0.78 SLC2A1 (0.44) HDAC6AR
SCHEMBL28039679 0.77 HDAC6 (0.56) HDAC6HDAC1HDAC10HDAC3
SCHEMBL22359808 0.77 CYP11B1 (0.47)
SCHEMBL11754704 0.76 CYP19A1 (0.55) HDAC6HDAC1RORCARHDAC8
SCHEMBL17930690 0.76 CYP19A1 (0.63) HDAC6HDAC1HDAC10RORC
SCHEMBL31022838 0.76 CYP19A1 (0.63) HDAC6HDAC1HDAC10RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
EP-1768694-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2007-04-04 EP disclosed
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 WO disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US disclosed
WO-2006005683-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2006-01-19 WO disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 EP disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 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 (2 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-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR HDAC6 2500/4885HDAC1 1710/4885HDAC10 63/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB HDAC6 1621/4885HDAC1 1645/4885HDAC10 105/4885

“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.