Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806632

SCHEMBL2806632

SCHEMBL2806632

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ MAP2K4 P45985 2/20 0.43
▸ RB1 P06400 1/20 0.42
▸ HTR1A P08908 4/20 0.39
▸ HTR7 P34969 4/20 0.39
▸ BRAF P15056 1/20 0.39
▸ HTR6 P50406 4/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ PNMT P11086 1/20 0.38

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
SCHEMBL2804752 0.88 HDAC8 (0.50) HDAC8HDAC6HTR1AHTR7HTR6
SCHEMBL2805214 0.88 FBP1 (0.39) HDAC8HDAC6HTR1AHTR7HTR6
SCHEMBL13273539 0.88 TNNI3K (0.40) HDAC8HDAC6PSEN1PSEN2APH1B
SCHEMBL2805699 0.88 RB1 (0.52) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL2489862 0.88 RB1 (0.43) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL2804200 0.88 HDAC8 (0.52) HDAC8HDAC6PSEN1PSEN2APH1B
SCHEMBL2807111 0.87 KMT2A (0.50) HDAC8HDAC6RB1HTR1AHTR7
SCHEMBL2802661 0.86 HSD11B1 (0.40) HDAC8HTR6
SCHEMBL2805159 0.86 SGK1 (0.43) HDAC8HDAC6BRAFKIT
SCHEMBL2804416 0.85 RB1 (0.37) HDAC8HDAC6RB1DRD2

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 615/4885HDAC6 157/4885PSEN1 3540/4885

“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.