SCHEMBL5166243

SCHEMBL5166243

CCOC(=O)c1c(N)sc2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 4/20 0.62
PRKCZ Q05513 2/20 0.56
MAPT P10636 10/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GPR55 Q9Y2T6 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 3/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6996573 0.82 MAPT (0.57) GRM6MAPTMEN1KMT2ANPC1
SCHEMBL24683238 0.81 MAPT (0.57) GRM6MAPTMEN1KMT2ANPC1
SCHEMBL5165409 0.80 IKBKB (0.46) GRM6MEN1KMT2AMAPK1TDP1
SCHEMBL2308619 0.80 MAPT (0.60) GRM6MAPTMEN1KMT2ANPC1
SCHEMBL14539618 0.80 MAPT (0.54) GRM6MAPTMEN1KMT2ANPC1
SCHEMBL6992051 0.80 GRM6 (0.57) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL8203054 0.78 MAPT (0.52) GRM6MAPTMEN1KMT2AGPR55
SCHEMBL5166592 0.77 MAPT (0.45) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL3383816 0.77 MAPT (0.76) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL2307828 0.76 MAPT (0.60) GRM6MAPTMEN1KMT2AGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300952-B2 NF-κb inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-11-27 US disclosed
EP-1532135-B1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-04-04 EP disclosed
US-20060058371-A1 Inhibiting pathological activation of the transcription factor NF- kappa B (nuclear factor- kappa B); amino-benzothiophene compounds, therapy of inflammatory and tissue repair disorders; particularly rheumatoid arthritis, inflammatory bowel disease, asthma and chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
EP-1532135-A4 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-11-09 EP disclosed
EP-1532135-A1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2003104219-A1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 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-20060058371-A1 Inhibiting pathological activation of the transcription factor NF- kappa B (nuclear factor- kappa B); amino-benzothiophene compounds, therapy of inflammatory and tissue repair disorders; particularly rheumatoid arthritis, inflammatory bowel disease, asthma and chronic obstructive pulmonary disease NFKBIA, IKBKG, RELA GRM6 3094/4885PRKCZ 222/4885MAPT 1873/4885

“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.