SCHEMBL1687162

SCHEMBL1687162

CNC(=S)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
NAPRT Q6XQN6 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 4/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL9629049 0.82 GAA (0.46) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL7317371 0.76 CYP2D6 (0.56) SMN1; SMN2LMNATDP1ALDH1A1HPGD
SCHEMBL13434933 0.76 GAA (0.57) SMN1; SMN2LMNATDP1ALDH1A1HPGD
SCHEMBL29122487 0.76 MAOA (0.47) SMN1; SMN2LMNATDP1ALDH1A1HPGD
SCHEMBL1379363 0.75 NPC1 (0.52) SMN1; SMN2LMNATDP1ALDH1A1HPGD
SCHEMBL1686736 0.74 ALDH1A1 (0.52) LMNATDP1ALDH1A1HTTGAA
SCHEMBL28235381 0.73 GAA (0.50) SMN1; SMN2LMNATDP1ALDH1A1HPGD
SCHEMBL18951753 0.72
SCHEMBL24925131 0.71 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDHTTNAPRT
SCHEMBL5914768 0.71 MEN1 (0.43) SMN1; SMN2LMNAALDH1A1HPGDMAPT

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 17 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
CN-103724330-B The effective combined utilization of monobactams antibiotic and beta-lactamase inhibitor BASLIER PHARMACEUTICAL AG (CH) 2015-08-19 CN 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
CN-102988362-B Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG 2014-11-05 CN disclosed
CN-103724330-A Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG 2014-04-16 CN disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
CN-102988362-A Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG 2013-03-27 CN disclosed
CN-101410111-B Effective combined application of monocyclic lactam antibiotics and beta-lactamase inhibitor BASILEA PHARMACEUTICA AG 2012-12-12 CN 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
CN-101410111-A Effective combined application of monocyclic lactam antibiotics and beta-lactamase inhibitor BASILEA PHARMACEUTICA AG (CH) 2009-04-15 CN 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 SMN1; SMN2 4085/4885LMNA 1009/4885TDP1 2354/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M SMN1; SMN2 4085/4885LMNA 1009/4885TDP1 2354/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M SMN1; SMN2 4164/4885LMNA 992/4885TDP1 2436/4885

“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.