SCHEMBL1686989

SCHEMBL1686989

NCCCOCCNC(=O)Nc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EPHX1 P07099 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GHSR Q92847 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E
SCHEMBL1686953 0.92 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E
SCHEMBL1686963 0.89 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E
SCHEMBL17710655 0.84 EPHX1 (0.38) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E
SCHEMBL1416042 0.84 ATG4B (0.44) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E
SCHEMBL1416499 0.83 ATG4B (0.43) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E
SCHEMBL1415910 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1LMNAGAA
SCHEMBL19173002 0.79 RAB9A (0.50) ALDH1A1RAB9ASMN1; SMN2LMNACA12
SCHEMBL1686846 0.79 EPHX1 (0.41) ALDH1A1EPHX1KDM4ELMNACA12
SCHEMBL752071 0.78 SMN1; SMN2 (0.50) ALDH1A1RAB9ASMN1; SMN2EPHX1KDM4E

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 6 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-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 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-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 (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-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885RAB9A 2290/4885SMN1; SMN2 4085/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ALDH1A1 2423/4885RAB9A 2026/4885SMN1; SMN2 4164/4885

“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.