SCHEMBL13653271

SCHEMBL13653271

COc1cccc(CCNC(=O)NC2CCc3cc(C(=O)Nc4ccccc4N)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 7/20 0.46
HDAC3 O15379 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 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
SCHEMBL4195363 0.93 HDAC1 (0.52) SMN1; SMN2HDAC1HDAC3HDAC2HDAC4
SCHEMBL4188245 0.92 KDM4E (0.48) ABCB1ALDH1A1KDM4EHDAC1HDAC3
SCHEMBL4183442 0.90 EPHX2 (0.54) SMN1; SMN2HDAC1HDAC3HDAC2HDAC4
SCHEMBL13653266 0.89 EPHX2 (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4178941 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4197887 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4184419 0.87 EPHX2 (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4188501 0.86 HDAC1 (0.50) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4191018 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13653214 0.85 NPC1 (0.49) ABCB1HDAC1HDAC3HDAC2HDAC4

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 2 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

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 ABCB1 1413/4885ALDH1A1 1080/4885KDM4E 2856/4885

“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.