SCHEMBL1663227

SCHEMBL1663227

O=C(NCCO)c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.76
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
LMNA P02545 2/20 0.64
TP53BP1 Q12888 1/20 0.62
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.54
HPGD P15428 3/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL4909099 0.89 LMNA (0.72) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL3319225 0.87 SMN1; SMN2 (0.65) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL9491289 0.86 LMNA (0.83) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL6290094 0.86 L3MBTL1 (0.76) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL1928397 0.86 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL10604330 0.86 L3MBTL1 (0.70) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL5862258 0.85 L3MBTL1 (0.73) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL5862900 0.85 L3MBTL1 (0.73) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL31055438 0.83 L3MBTL1 (0.82) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL27611122 0.83 LMNA (0.78) L3MBTL1NPC1RAB9ALMNATP53BP1

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
CN-116640083-A GPR52 modulator compound 江苏海洋大学 2023-08-25 CN disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 US disclosed
CN-101535307-B Triazole derivatives as kinase inhibitors CELLZOME UK LTD 2013-10-30 CN disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 US disclosed
CN-101535307-A Triazole derivatives as kinase inhibitors CELLZOME UK LTD (GB) 2009-09-16 CN disclosed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP disclosed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 L3MBTL1 3597/4885NPC1 3936/4885RAB9A 1897/4885
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS ITK, PIK3C3, TXK L3MBTL1 4352/4885NPC1 2979/4885RAB9A 2362/4885

“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.