SCHEMBL1686963

SCHEMBL1686963

NCCOCCCNC(=O)Nc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
EPHX1 P07099 5/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC2 Q92769 2/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CNR1 P21554 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL1687084 0.94 ALDH1A1 (0.44) ALDH1A1EPHX1KDM4ELMNASMN1; SMN2
SCHEMBL1686953 0.92 RAB9A (0.40) ALDH1A1EPHX1KDM4ELMNASMN1; SMN2
SCHEMBL1686989 0.89 ALDH1A1 (0.39) ALDH1A1EPHX1KDM4ELMNASMN1; SMN2
SCHEMBL1686847 0.84 EPHX1 (0.41) ALDH1A1EPHX1KDM4ELMNASMN1; SMN2
SCHEMBL22683516 0.81 ALDH1A1 (0.53) ALDH1A1EPHX1KDM4ELMNAHTT
SCHEMBL19173002 0.79 RAB9A (0.50) ALDH1A1LMNASMN1; SMN2RAB9ACNR1
SCHEMBL1686846 0.79 EPHX1 (0.41) ALDH1A1EPHX1KDM4ELMNAHTT
SCHEMBL1416042 0.78 ATG4B (0.44) ALDH1A1EPHX1KDM4ELMNASMN1; SMN2
SCHEMBL1686948 0.78 MGLL (0.43) SMN1; SMN2TSHR
SCHEMBL1416149 0.77 EPHX1 (0.49) ALDH1A1EPHX1KDM4ELMNASMN1; SMN2

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 11 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
EP-1965798-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS Basilea Pharmaceutica AG (CH) 2008-09-10 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 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 (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 ALDH1A1 2194/4885EPHX1 1652/4885KDM4E 1074/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885EPHX1 1652/4885KDM4E 1074/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ALDH1A1 2423/4885EPHX1 1507/4885KDM4E 1140/4885

“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.