SCHEMBL5943946

SCHEMBL5943946

O=C(NO)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.61
▸ HDAC8 Q9BY41 4/20 0.59
▸ GRM5 P41594 1/20 0.58
▸ HDAC1 Q13547 9/20 0.57
▸ PARP1 P09874 1/20 0.55
▸ PLAU P00749 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MCHR1 Q99705 1/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL3034509 0.84 NPC1 (0.69) HDAC6HDAC8HDAC1PARP1MEN1
SCHEMBL5944128 0.84 HDAC1 (0.65) HDAC6HDAC8HDAC1PARP1HDAC3
SCHEMBL10631530 0.82 ALOX5 (0.55) GRM5PLAU
SCHEMBL5944147 0.82 PARP1 (0.70) HDAC6HDAC8HDAC1PARP1MEN1
SCHEMBL5943853 0.81 HDAC1 (0.72) HDAC6HDAC8HDAC1PARP1KDM4E
SCHEMBL3028316 0.81 HDAC1 (0.71) HDAC6HDAC8HDAC1HDAC3HDAC4
SCHEMBL5944323 0.80 PGR (0.61) HDAC6HDAC8HDAC1MEN1KMT2A
SCHEMBL2040947 0.80 RXRA (0.69) —
SCHEMBL6674303 0.80 KDM4E (0.62) HDAC6HDAC8HDAC1PARP1MEN1
SCHEMBL5943736 0.79 PARP1 (0.67) HDAC6HDAC8HDAC1PARP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 — — US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 — — EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 — — WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 — — US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 — — EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 — — 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 (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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HDAC6 11/4885HDAC8 9/4885GRM5 1661/4885

“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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