SCHEMBL4184601

SCHEMBL4184601

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.56
HDAC3 O15379 9/20 0.56
HDAC2 Q92769 9/20 0.56
MAPK1 P28482 1/20 0.56
HDAC4 P56524 5/20 0.52
HDAC7 Q8WUI4 5/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC9 Q9UKV0 5/20 0.52
HDAC5 Q9UQL6 5/20 0.52
NCOR2 Q9Y618 1/20 0.51
HTT P42858 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PTGS1 P23219 2/20 0.48
TAS1R3 Q7RTX0 3/20 0.47

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
SCHEMBL4190658 0.92 HDAC1 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4191098 0.92 HDAC1 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4184415 0.92 HDAC1 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4197796 0.90 HDAC3 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4180693 0.89 CA12 (0.52) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4190602 0.88 HDAC1 (0.54) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL13653134 0.87 HDAC1 (0.48) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4198505 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4188620 0.87 MEN1 (0.53) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL13653252 0.85 NPSR1 (0.57) HDAC1HDAC3HDAC2HDAC4HDAC7

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
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US 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 579/4885HDAC3 1045/4885HDAC2 641/4885

“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.