SCHEMBL918236

SCHEMBL918236

CCCCOC(=O)Nc1ccc(OBOc2ccc(NC(=O)OCCCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.65
NPC1 O15118 9/20 0.65
SMN1; SMN2 Q16637 9/20 0.65
HPGD P15428 7/20 0.65
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 2/20 0.65
KDM4E B2RXH2 2/20 0.65
CASP1 P29466 1/20 0.65
MCL1 Q07820 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 3/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
LMNA P02545 2/20 0.55

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
SCHEMBL7564852 0.89 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21059190 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13387589 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10192215 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7564856 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL1699197 0.83 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL23484018 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL16374712 0.82 NPC1 (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13387474 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2019-04-11 US disclosed
US-10155021-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2018-12-18 US disclosed
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-08-17 US disclosed
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-04-20 US disclosed
US-9403818-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2016-08-02 US disclosed
EP-2670410-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Evolva SA (CH) 2013-12-11 EP disclosed
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2013-09-26 US disclosed
WO-2012104305-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2012-08-09 WO disclosed
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 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 (6 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-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B RAB9A 1963/4885NPC1 1403/4885SMN1; SMN2 4640/4885
US-10155021-B2 Antimicrobial 4-oxoquinolizines DCAF15, CUL4A, CUL4B RAB9A 1925/4885NPC1 1377/4885SMN1; SMN2 4656/4885
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B RAB9A 1963/4885NPC1 1403/4885SMN1; SMN2 4640/4885
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B RAB9A 1963/4885NPC1 1403/4885SMN1; SMN2 4640/4885
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B RAB9A 1963/4885NPC1 1403/4885SMN1; SMN2 4640/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C RAB9A 322/4885NPC1 4088/4885SMN1; SMN2 4241/4885

“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.