SCHEMBL2803256

SCHEMBL2803256

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccc(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
RB1 P06400 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
SGK1 O00141 3/20 0.35
MAP2K4 P45985 3/20 0.34
KMT2A Q03164 1/20 0.34
MAP2K7 O14733 1/20 0.34
PAK1 Q13153 3/20 0.33
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
PIK3CA P42336 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL2803946 0.90 HDAC8 (0.50) HDAC8RB1HDAC6SGK1MAP2K4
SCHEMBL2802675 0.90 HDAC8 (0.34) HDAC8RB1PAK1MAPTEPHX2
SCHEMBL2806698 0.89 HDAC8 (0.40) HDAC8RB1HDAC6SGK1MAP2K4
SCHEMBL2806649 0.89 HDAC8 (0.40) HDAC8RB1SGK1MAP2K4MAP2K7
SCHEMBL2802832 0.87 USP30 (0.43) HDAC8RB1SGK1MAP2K4MAP2K7
SCHEMBL2805651 0.87 HDAC8 (0.42) HDAC8RB1SGK1PAK1MAPT
SCHEMBL2805699 0.84 RB1 (0.52) HDAC8RB1MAP2K4MAP2K7PAK1
SCHEMBL2805612 0.83 HDAC8 (0.40) HDAC8SGK1
SCHEMBL2806632 0.83 HDAC8 (0.50) HDAC8RB1HDAC6MAP2K4
SCHEMBL2804988 0.83 MCHR1 (0.37) HDAC8PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 HDAC8 615/4885RB1 78/4885HDAC6 157/4885

“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.