SCHEMBL1686783

SCHEMBL1686783

NCCCOCCNC(=O)Oc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NCEH1 Q6PIU2 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TLR2 O60603 1/20 0.35

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
SCHEMBL1686703 0.94 MGLL (0.43) MGLLSMN1; SMN2
SCHEMBL1686975 0.92 SMN1; SMN2 (0.40) MGLLSMN1; SMN2LMNATAAR1NPC1
SCHEMBL1686948 0.89 MGLL (0.43) MGLLSMN1; SMN2
SCHEMBL1686926 0.84 SMN1; SMN2 (0.38) MGLLSMN1; SMN2LMNANCEH1TLR2
SCHEMBL1416075 0.84 SMN1; SMN2 (0.46) MGLLSMN1; SMN2LMNATAAR1NPC1
SCHEMBL1416283 0.83 SMN1; SMN2 (0.44) MGLLSMN1; SMN2LMNATAAR1NPC1
SCHEMBL1416765 0.81 MGLL (0.46) MGLLSMN1; SMN2TAAR1NPC1GAA
SCHEMBL1686694 0.79 CHRNA1 (0.39) MGLLGAA
SCHEMBL1416207 0.78 NPC1 (0.46) MGLLSMN1; SMN2TAAR1NPC1GAA
SCHEMBL1686989 0.78 ALDH1A1 (0.39) SMN1; SMN2LMNAGAARAB9A

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
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP claimed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 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 (3 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M MGLL 66/4885SMN1; SMN2 4085/4885LMNA 1009/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M MGLL 66/4885SMN1; SMN2 4085/4885LMNA 1009/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M MGLL 70/4885SMN1; SMN2 4164/4885LMNA 992/4885

“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.