SCHEMBL621204

SCHEMBL621204

O=C(c1cc(Br)cs1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
GSK3B P49841 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.37
ALAD P13716 1/20 0.37
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DAO P14920 1/20 0.31
GPR35 Q9HC97 1/20 0.31
MELK Q14680 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MGLL Q99685 1/20 0.30
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL17253281 0.78 DAO (0.57) DAOMEN1KMT2A
SCHEMBL27623970 0.73 CES2 (0.73) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL8317718 0.72 SMN1; SMN2 (0.41) CES2CES1ALDH1A1SMN1; SMN2MGLL
SCHEMBL425130 0.72
SCHEMBL3431409 0.70
SCHEMBL1032788 0.70
SCHEMBL26075493 0.70
SCHEMBL3450 0.70
Hydrochloric Acid SCHEMBL11059604 0.70 CES2 (0.67) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL1476269 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 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 (2 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA CES2 4072/4885CES1 2965/4885ALDH1A1 3293/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA CES2 4086/4885CES1 2942/4885ALDH1A1 3303/4885

“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.