Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805651

SCHEMBL2805651

SCHEMBL2805651

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.42
▸ ADRA2A P08913 2/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ NMT1 P30419 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ RRM1 P23921 1/20 0.34
▸ RRM2B Q7LG56 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ RB1 P06400 1/20 0.33
▸ SGK1 O00141 1/20 0.32
▸ PFKFB4 Q16877 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL2802675 0.90 HDAC8 (0.34) HDAC8ADRA2ANPY5RMCHR1RB1
SCHEMBL2803946 0.90 HDAC8 (0.50) HDAC8RB1SGK1PIK3CAPAK1
SCHEMBL2805612 0.89 HDAC8 (0.40) HDAC8SGK1
SCHEMBL2804988 0.88 MCHR1 (0.37) HDAC8ADRA2ANPY5RMCHR1PAK1
SCHEMBL2803256 0.87 HDAC8 (0.42) HDAC8ALOX5APFEN1RB1SGK1
SCHEMBL2804182 0.86 SGK1 (0.43) HDAC8ALOX5APFEN1RB1SGK1
SCHEMBL2803943 0.84 L3MBTL1 (0.41) HDAC8TP53
SCHEMBL2802245 0.84 SCN1A (0.35) HDAC8ALOX5APFEN1RB1SGK1
SCHEMBL2805284 0.84 SGK1 (0.46) SGK1
SCHEMBL2806649 0.83 HDAC8 (0.40) HDAC8AKR1B1RB1SGK1

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 615/4885ADRA2A 2327/4885NPY5R 1426/4885

“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.