SCHEMBL316490

SCHEMBL316490

COc1ccc(C(=O)Nc2ccccc2Br)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.79
HDAC1 Q13547 2/20 0.68
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
KMT2A Q03164 6/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 4/20 0.59
GAA P10253 2/20 0.59
F2 P00734 1/20 0.58
TP53 P04637 2/20 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
SCHEMBL29894079 0.87 NPC1 (0.64) F10HDAC1HDAC3HDAC2HDAC8
SCHEMBL21798722 0.87 NPC1 (0.64) F10HDAC1HDAC3HDAC2HDAC8
SCHEMBL5430013 0.86 F10 (0.77) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL3821744 0.85 F10 (0.93) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL29175052 0.83 NPC1 (0.65) F10HDAC2KMT2ANPC1RAB9A
SCHEMBL8832040 0.83 F10 (0.81) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5221640 0.83 F10 (0.81) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL9620772 0.83 F10 (0.81) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL27622875 0.81 HDAC1 (0.65) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL5223242 0.81 F10 (0.84) F10HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US disclosed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083199-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 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-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP6 F10 4024/4885HDAC1 228/4885HDAC3 585/4885

“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.