SCHEMBL4193441

SCHEMBL4193441

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.48
HDAC2 Q92769 12/20 0.48
HDAC3 O15379 11/20 0.48
HDAC4 P56524 7/20 0.48
HDAC7 Q8WUI4 7/20 0.48
HDAC10 Q969S8 7/20 0.48
HDAC11 Q96DB2 7/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC6 Q9UBN7 7/20 0.48
HDAC9 Q9UKV0 7/20 0.48
HDAC5 Q9UQL6 7/20 0.48
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.44
NCOR2 Q9Y618 2/20 0.44

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
SCHEMBL4186863 0.94 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4191269 0.90 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4183442 0.89 EPHX2 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4185784 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4198505 0.85 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4190658 0.83 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4191098 0.83 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4184415 0.83 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4178795 0.83 HDAC1 (0.55) HDAC1HDAC2HDAC3MAPK1NCOR2
SCHEMBL13653139 0.82 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7

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 579/4885HDAC2 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.