SCHEMBL6326274

SCHEMBL6326274

COc1ccc(-c2cn(CCC(=O)O)nn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.70
HDAC3 O15379 4/20 0.65
HDAC4 P56524 4/20 0.65
HDAC1 Q13547 4/20 0.65
HDAC7 Q8WUI4 4/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC10 Q969S8 4/20 0.65
HDAC11 Q96DB2 4/20 0.65
HDAC8 Q9BY41 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
HDAC9 Q9UKV0 4/20 0.65
HDAC5 Q9UQL6 4/20 0.65
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
GAA P10253 1/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58

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
SCHEMBL6326477 0.88 HDAC3 (0.67) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL15057938 0.84 NR1H4 (0.70) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6747476 0.83 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15076038 0.81 MEN1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276931 0.79 MEN1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28573563 0.79 PTGS2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17037191 0.79 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27095045 0.79 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20341414 0.78 HDAC3 (0.61) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL30531814 0.78 SRC (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 NR1H4 4536/4885HDAC3 16/4885HDAC4 83/4885

“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.