SCHEMBL618995

SCHEMBL618995

CCOC(=O)c1cc(Br)cc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRB2 P47870 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
NUDT1 P36639 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL12583878 0.84 TSHR (0.50) ALDH1A1KDM4EHPGDKMT2ANUDT1
SCHEMBL553101 0.84 CHEK1 (0.50) ALDH1A1MAOBGAAMAPTL3MBTL1
SCHEMBL12583934 0.83 KDM4E (0.51) ALDH1A1KDM4EHPGDKMT2ANUDT1
SCHEMBL988113 0.83 KDM4E (0.46) ALDH1A1KDM4EHPGDKMT2ANUDT1
SCHEMBL12583876 0.80 KDM4E (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL12585069 0.80 XDH (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL10211382 0.79 MAOA (0.43) MAOB
SCHEMBL2885005 0.78 KEAP1 (0.58) ALDH1A1KDM4EHPGDKMT2ANUDT1
SCHEMBL15683164 0.77 CA12 (0.45) ALDH1A1KDM4EHPGDCA12CA2
SCHEMBL552639 0.77 KEAP1 (0.56) ALDH1A1KDM4EHPGDGLA

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 12 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-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
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 ALDH1A1 3293/4885KDM4E 1066/4885HPGD 1850/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA ALDH1A1 3303/4885KDM4E 1090/4885HPGD 1850/4885

“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.