SCHEMBL2806649

SCHEMBL2806649

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.40
SGK1 O00141 4/20 0.38
RB1 P06400 1/20 0.37
MAP2K4 P45985 3/20 0.36
MAP2K7 O14733 1/20 0.36
BRD4 O60885 2/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1B1 P15121 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL2802123 0.90 HDAC8 (0.50) HDAC8SGK1
SCHEMBL2803946 0.90 HDAC8 (0.50) HDAC8SGK1RB1MAP2K4MAP2K7
SCHEMBL2806698 0.89 HDAC8 (0.40) HDAC8SGK1RB1MAP2K4MAP2K7
SCHEMBL2803256 0.89 HDAC8 (0.42) HDAC8SGK1RB1MAP2K4MAP2K7
SCHEMBL2802939 0.88 HDAC8 (0.39) HDAC8SGK1PTGDR2
SCHEMBL2802832 0.87 USP30 (0.43) HDAC8SGK1RB1MAP2K4MAP2K7
SCHEMBL2805612 0.87 HDAC8 (0.40) HDAC8SGK1
SCHEMBL2803149 0.86 ALDH1A1 (0.47) HDAC8SGK1RB1
SCHEMBL2805284 0.86 SGK1 (0.46) SGK1
SCHEMBL2802245 0.86 SCN1A (0.35) HDAC8SGK1RB1

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 615/4885SGK1 1977/4885RB1 78/4885

“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.