SCHEMBL4189862

SCHEMBL4189862

CCN(C(=O)O)C1CCc2cc(C(=O)Nc3ccccc3N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.46
HDAC2 Q92769 16/20 0.46
HDAC3 O15379 15/20 0.46
NCOR2 Q9Y618 4/20 0.46
HDAC8 Q9BY41 9/20 0.45
HDAC4 P56524 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS1 P23219 1/20 0.42
NCOR1 O75376 3/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL13653189 0.92 HDAC1 (0.45) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4192728 0.92 HDAC1 (0.45) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4190646 0.91 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4186733 0.90 HDAC3 (0.45) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4190641 0.89 HDAC1 (0.43) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL13653188 0.89 HDAC1 (0.43) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4193470 0.88 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4184358 0.87 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4183198 0.86 HDAC1 (0.43) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4189915 0.86 HDAC1 (0.53) HDAC1HDAC2HDAC3NCOR2HDAC8

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-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
EP-1802577-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY Bayer Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006062580-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 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-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 HDAC1 579/4885HDAC2 641/4885HDAC3 1045/4885

“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.