SCHEMBL13315809

SCHEMBL13315809

O=C(O)CCCC(=O)Nc1cccc(-c2cn(-c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 13/20 0.45
▸ HDAC1 Q13547 11/20 0.45
▸ HDAC6 Q9UBN7 11/20 0.45
▸ HDAC2 Q92769 8/20 0.45
▸ HDAC10 Q969S8 8/20 0.45
▸ HDAC8 Q9BY41 7/20 0.45
▸ SLC16A3 O15427 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ BRCA1 P38398 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ HBB P68871 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 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
SCHEMBL13315803 0.83 SLC16A3 (0.53) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315806 0.81 USP2 (0.47) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315794 0.77 HDAC3 (0.51) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL13348929 0.76 SLC16A3 (0.49) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315804 0.74 SLC16A3 (0.44) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315802 0.73 KDM4E (0.50) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL13315813 0.72 HDAC3 (0.46) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL23872036 0.68 SLC16A3 (0.67) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL9351972 0.67 SLC16A3 (0.68) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL12216211 0.66 USP2 (0.65) SLC16A3USP2CASP1BRCA1CASP7

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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