SCHEMBL4184370

SCHEMBL4184370

Cc1ccccc1CCNC(=O)NC1CCc2cc(C(=O)Nc3ccccc3N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.43
HDAC3 O15379 8/20 0.43
HDAC2 Q92769 6/20 0.43
EPHX2 P34913 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
TRPV1 Q8NER1 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL13653216 0.91 HDAC1 (0.44) HDAC1HDAC3HDAC2EPHX2HDAC4
SCHEMBL4186856 0.90 HDAC1 (0.44) HDAC1HDAC3HDAC2EPHX2HDAC4
SCHEMBL4188480 0.90 EPHX2 (0.42) HDAC1HDAC3HDAC2EPHX2HDAC4
SCHEMBL4188501 0.89 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC6MAPT
SCHEMBL4184419 0.88 EPHX2 (0.46) HDAC1HDAC3HDAC2EPHX2HDAC4
SCHEMBL4183442 0.88 EPHX2 (0.54) HDAC1HDAC3HDAC2EPHX2HDAC4
SCHEMBL13653266 0.87 EPHX2 (0.46) HDAC1HDAC3HDAC2EPHX2HDAC4
SCHEMBL4183959 0.85 TRPV1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4188365 0.84 TRPV1 (0.48) HDAC1HDAC3HDAC2EPHX2HDAC8
SCHEMBL13653281 0.84 HDAC1 (0.48) HDAC1HDAC3HDAC2EPHX2HDAC4

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.