SCHEMBL2180674

SCHEMBL2180674

O=C(NC(c1c[nH]cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 3/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
NR3C1 P04150 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
SCHEMBL2052217 0.85 KDM4E (0.35) KDM4ENR3C1
SCHEMBL28813721 0.71
SCHEMBL7081435 0.71 KMT2A (0.37) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6771509 0.70
SCHEMBL3979458 0.70 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL7260793 0.68 KCNH2 (0.34) ALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL6772665 0.68
SCHEMBL8542575 0.68 PTGIR (0.33)
SCHEMBL9052253 0.68 MMP2 (0.38) ALDH1A1NPC1RAB9AHPGDNR3C1
SCHEMBL7461297 0.68

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
EP-3000482-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2021-04-21 EP disclosed
CN-104311657-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-12-08 CN disclosed
CN-111560060-A Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-08-21 CN disclosed
CN-104327182-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-04-17 CN disclosed
EP-2513141-B1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 EP disclosed
US-9556250-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2017-01-31 US disclosed
EP-3000482-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES Novo Nordisk A/S (DK) 2016-03-30 EP disclosed
EP-2513140-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2015-11-04 EP disclosed
US-8815802-B2 GLP-1 analogues and derivatives NOVO NORDISK A/S (DK) 2014-08-26 US disclosed
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2014-06-26 US disclosed
US-8648041-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2014-02-11 US disclosed
US-20130053311-A1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK A/S (DK) 2013-02-28 US disclosed
US-20120329711-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS NORDISK A/S (DK) 2012-12-27 US disclosed
US-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 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 (4 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-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, IAPP, GCG ALDH1A1 2522/4885KDM4E 264/4885KEAP1 2260/4885
US-20130053311-A1 GLP-1 ANALOGUES AND DERIVATIVES GLP1R, IAPP, SLC5A1 ALDH1A1 2799/4885KDM4E 157/4885KEAP1 1642/4885
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, GCG, DPP7 ALDH1A1 936/4885KDM4E 111/4885KEAP1 3247/4885
US-20120329711-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS GLP1R, GIPR, GCGR ALDH1A1 3576/4885KDM4E 1672/4885KEAP1 3676/4885

“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.