SCHEMBL621965

SCHEMBL621965

CCOC(=O)c1cc(Br)cc2c([C@@H]3C[C@H]4CC[C@@H](C3)S4(=O)=O)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.32
OPRK1 P41145 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRB2 P47870 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
SCHEMBL619797 1.00 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL619798 1.00 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL621966 0.93 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10211403 0.88 IKBKB (0.30)
SCHEMBL622269 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL621735 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622270 0.86 HPGD (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622408 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL620357 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL619328 0.83 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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-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-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 ALDH1A1 3293/4885MEN1 3586/4885KMT2A 371/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA ALDH1A1 3303/4885MEN1 3624/4885KMT2A 398/4885

“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.