SCHEMBL4183294

SCHEMBL4183294

COc1ccc2c(CCNC3CCc4cc(C(=O)Nc5ccccc5N)ccc43)c[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC3 O15379 6/20 0.47
HDAC2 Q92769 5/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL4187107 0.94 TRPV1 (0.50) ACHEMEN1KMT2AHDAC1HDAC3
SCHEMBL4192751 0.91 MEN1 (0.52) ACHEMAPTMEN1KMT2AHDAC1
SCHEMBL4193510 0.90 HDAC1 (0.46) MAPTMEN1KMT2AHDAC1HDAC3
SCHEMBL4178795 0.89 HDAC1 (0.55) MAPTMEN1KMT2AHDAC1HDAC3
SCHEMBL4183216 0.89 HDAC1 (0.46) ACHEHDAC1HDAC3HDAC2NPC1
SCHEMBL4185796 0.85 POLB (0.54) ACHEMAPTMEN1KMT2AMTNR1A
SCHEMBL4183434 0.81 HDAC1 (0.47) MAPTMEN1KMT2AHDAC1NPC1
SCHEMBL4180696 0.80 MEN1 (0.48) MAPTMEN1KMT2AHDAC1GAA
SCHEMBL4186899 0.80 HDAC1 (0.56) MAPTMEN1KMT2AHDAC1HDAC3
SCHEMBL4192122 0.80 HDAC1 (0.47) ACHEMAPTMEN1KMT2AHDAC1

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 ACHE 3248/4885MAPT 1308/4885MEN1 612/4885

“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.