SCHEMBL2802832

SCHEMBL2802832

Cc1ccc(F)cc1S(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
HDAC8 Q9BY41 1/20 0.38
SGK1 O00141 6/20 0.38
HSD11B1 P28845 1/20 0.38
BRD4 O60885 7/20 0.38
RB1 P06400 1/20 0.37
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAP2K7 O14733 1/20 0.34
MAP2K4 P45985 1/20 0.34

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
SCHEMBL2806698 0.93 HDAC8 (0.40) USP30HDAC8SGK1RB1PSEN1
SCHEMBL2803951 0.90 BRD4 (0.39) SGK1HSD11B1BRD4BRD2BRD3
SCHEMBL2803946 0.89 HDAC8 (0.50) HDAC8SGK1BRD4RB1MAP2K7
SCHEMBL2803256 0.87 HDAC8 (0.42) HDAC8SGK1RB1MAP2K7MAP2K4
SCHEMBL2806649 0.87 HDAC8 (0.40) HDAC8SGK1BRD4RB1MAP2K7
SCHEMBL2807827 0.86 PAK1 (0.36) SGK1HSD11B1BRD4RB1
SCHEMBL2806444 0.85 SGK1 (0.47) SGK1HSD11B1
SCHEMBL2803283 0.85 L3MBTL1 (0.35) SGK1BRD4
SCHEMBL2803941 0.84 ALDH1A1 (0.49) HDAC8RB1
SCHEMBL2805699 0.84 RB1 (0.52) HDAC8RB1PSEN1PSEN2APH1B

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 USP30 4053/4885HDAC8 615/4885SGK1 1977/4885

“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.