SCHEMBL2392790

SCHEMBL2392790

Cn1cc(NC(=O)c2cccn2C)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
GRM1 Q13255 1/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
IMPDH2 P12268 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL2391009 0.99 HDAC1 (0.48) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL12307070 0.87 HDAC1 (0.48) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL27016029 0.87 HDAC1 (0.48) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL12256182 0.87 HDAC1 (0.48) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL20833644 0.87 HDAC1 (0.48) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL12256155 0.87 HDAC6 (0.40) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL2391593 0.86 NPC1 (0.50) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL20833643 0.85 NPC1 (0.49) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL27015692 0.85 HDAC1 (0.46) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL2388881 0.85 NPC1 (0.49) HDAC1HDAC6RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368006-B DNA binding agents with minor groove binding tails 得克萨斯州大学系统董事会 2023-03-07 CN disclosed
EP-3350145-B1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL UNIV TEXAS (US) 2020-09-16 EP disclosed
EP-3350145-B1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL UNIV TEXAS (US) 2020-09-16 EP disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-06 US disclosed
EP-3350145-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL Board of Regents, The University of Texas System (US) 2018-07-25 EP disclosed
WO-2017049091-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-23 WO disclosed
WO-2017049091-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-23 WO disclosed
US-8017599-B2 Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2011-09-13 US disclosed
US-8017599-B2 Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2011-09-13 US disclosed
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 US disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO 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 (3 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-10358439-B2 DNA binding agents with a minor groove binding tail TOP2B, TOP2A, TOP1 HDAC1 607/4885HDAC6 1112/4885RAB9A 2785/4885
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF HDAC1 2739/4885HDAC6 823/4885RAB9A 4050/4885
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL TOP2B, TOP2A, TOP1 HDAC1 607/4885HDAC6 1112/4885RAB9A 2785/4885

“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.