SCHEMBL13315794

SCHEMBL13315794

O=C(O)CCCC(=O)Nc1cccc(-c2cn(-c3cc4ccc(O)cc4oc3=O)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 15/20 0.51
▸ HDAC1 Q13547 13/20 0.51
▸ HDAC6 Q9UBN7 13/20 0.51
▸ HDAC2 Q92769 9/20 0.51
▸ HDAC10 Q969S8 9/20 0.51
▸ HDAC8 Q9BY41 8/20 0.51
▸ NCOR2 Q9Y618 1/20 0.50
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL13315802 0.88 KDM4E (0.50) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL13315813 0.86 HDAC3 (0.46) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL13315790 0.80 MIF (0.54) HPGDALDH1A1
SCHEMBL13315809 0.77 HDAC3 (0.45) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL12444682 0.74 ESRRB (0.48) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL13315789 0.72 MIF (0.56) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL13315792 0.70 CA12 (0.47) MEN1KMT2AL3MBTL1
SCHEMBL13315793 0.70 TDP1 (0.47) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL3550958 0.69 SRC (0.52) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2248079 0.68 BCHE (0.44) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK HDAC3 1426/4885HDAC1 2120/4885HDAC6 1095/4885

“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.

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