SCHEMBL621735

SCHEMBL621735

CCOC(=O)c1cc(Br)cc2c(C3CC4CCC(C3)S4)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
GLA P06280 1/20 0.33
OPRK1 P41145 4/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL622408 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2785428 0.88 LMNA (0.36) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL621965 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL619798 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL621966 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL619797 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622270 0.85 HPGD (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622269 0.85 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL618369 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL620808 0.84 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 10 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-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

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.