SCHEMBL2496845

SCHEMBL2496845

O=CN(O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC1 Q13547 3/20 0.55
ALOX5 P09917 4/20 0.49
TAAR1 Q96RJ0 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP1A2 P05177 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
SCHEMBL4773352 0.88 HDAC2 (0.60) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL4769805 0.86 HDAC2 (0.62) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL4291654 0.78 TAAR1 (0.52) ALOX5TAAR1TDP1MEN1NPC1
SCHEMBL2500291 0.78 TSHR (0.44) HDAC2HDAC8HDAC6HDAC1NPC1
SCHEMBL6260576 0.78 CHRNA7 (0.57) TDP1CYP1A2CYP2D6
SCHEMBL5526488 0.75 TAAR1 (0.59) TAAR1TDP1MEN1NPC1RAB9A
SCHEMBL3240874 0.75 TAAR1 (0.48) ALOX5TAAR1TDP1MEN1NPC1
SCHEMBL7456364 0.75 AOC3 (0.55) ALOX5TAAR1TDP1MEN1NPC1
SCHEMBL1300014 0.75 TAAR1 (0.59) TAAR1TDP1MEN1NPC1RAB9A
SCHEMBL4968152 0.75 CYP1A2 (0.62) ALOX5TAAR1TDP1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP claimed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 WO claimed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-03 US disclosed
US-20060142336-A1 N-sulfonylpiperidines as metalloproteinase inhibitors (tace) ASTRAZENECA AB (SE) 2006-06-29 US disclosed
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
EP-1531821-A2 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ALKENYL OR ALKYNYL MOIETY FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-05-25 EP disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
WO-2004006927-A2 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ALKENYL OR ALKYNLY MOIETY FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP 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 (4 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD HDAC2 1411/4885HDAC8 1938/4885HDAC6 1886/4885
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors MMP9, MMP2, MMP25 HDAC2 82/4885HDAC8 328/4885HDAC6 105/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 HDAC2 324/4885HDAC8 1433/4885HDAC6 830/4885
US-20060142336-A1 N-sulfonylpiperidines as metalloproteinase inhibitors (tace) ADAM10, ADAM9, CTRL HDAC2 832/4885HDAC8 1016/4885HDAC6 916/4885

“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.