SCHEMBL5944037

SCHEMBL5944037

O=C(Nc1ccccc1)Nc1cccc(-c2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.72
MGLL Q99685 1/20 0.71
CNR1 P21554 5/20 0.65
HDAC8 Q9BY41 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
SIRT1 Q96EB6 1/20 0.60
PTPN1 P18031 2/20 0.58
KMT2A Q03164 1/20 0.58
ADORA3 P0DMS8 1/20 0.57
HDAC1 Q13547 2/20 0.56
HDAC3 O15379 1/20 0.56

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
SCHEMBL5944071 0.90 PARP1 (0.89) PARP1MGLLHDAC8HDAC2HDAC6
SCHEMBL19491392 0.86 SIRT1 (0.81) PARP1MGLLCNR1SIRT1PTPN1
Dimethylamine SCHEMBL5944145 0.86 PARP1 (0.82) PARP1HDAC8HDAC2HDAC6PTPN1
SCHEMBL5944034 0.85 PARP1 (0.86) PARP1HDAC8HDAC2HDAC6PTPN1
SCHEMBL5943974 0.84 TRPV1 (0.70) PARP1CNR1HDAC6KMT2AADORA3
SCHEMBL3033694 0.82 HDAC2 (0.89) PARP1HDAC8HDAC2HDAC6PTPN1
SCHEMBL5943854 0.82 KMT2A (0.65) PARP1HDAC8HDAC2HDAC6KMT2A
SCHEMBL5944147 0.81 PARP1 (0.70) PARP1CNR1HDAC8HDAC2HDAC6
SCHEMBL5944373 0.81 PARP1 (0.70) PARP1CNR1HDAC8HDAC2HDAC6
SCHEMBL5943998 0.81 PARP1 (0.70) PARP1HDAC8HDAC2HDAC6PTPN1

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 PARP1 170/4885MGLL 4257/4885CNR1 4339/4885

“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.