SCHEMBL5453340

SCHEMBL5453340

COc1sc2ccccc2c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
LIMK1 P53667 2/20 0.51
IKBKB O14920 1/20 0.51
ATM Q13315 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CNR1 P21554 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAOB P27338 1/20 0.46

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
SCHEMBL6151703 0.85 LMNA (0.53) MAPK1LMNAATMKDM4EALDH1A1
SCHEMBL2688919 0.79 LIMK1 (0.62) MAPK1LMNALIMK1IKBKBATM
SCHEMBL31350344 0.77 LIMK1 (0.56) MAPK1LMNALIMK1IKBKBATM
SCHEMBL5453335 0.77 LIMK1 (0.60) MAPK1LMNALIMK1IKBKBATM
Hydrochloric Acid SCHEMBL7300365 0.76 LIMK1 (0.54) MAPK1LMNALIMK1IKBKBATM
SCHEMBL10624355 0.75 LIMK1 (0.58) MAPK1LMNALIMK1IKBKBATM
SCHEMBL6656348 0.73 LMNA (0.69) MAPK1LMNAATMKDM4EALDH1A1
SCHEMBL9495325 0.71 LMNA (1.00) MAPK1LMNALIMK1ATMKDM4E
SCHEMBL11756032 0.71 LIMK1 (0.57) MAPK1LMNALIMK1IKBKBATM
SCHEMBL9272529 0.71 PTPN2 (0.43) MAPK1LMNAATMKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382770-B A method of alpha-amido oximido ether compound is synthesized by N- alkoxy amide and 2H- aziridine 浙江大学 2019-07-09 CN disclosed
CN-107382770-A A kind of method that α amino oximido ether compounds are synthesized by N alkoxy amides and 2H aziridine 浙江大学 2017-11-24 CN disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 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 (1 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 MAPK1 1176/4885LMNA 3232/4885LIMK1 3271/4885

“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.