SCHEMBL18543789

SCHEMBL18543789

O=C1CSc2ncc(CO)nc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KCNH2 Q12809 1/20 0.33
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18529018 0.76 GSK3A (0.35) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL20687490 0.76 HTT (0.39) PDE3BPDE3AMAOAMAOBGSK3A
SCHEMBL18544246 0.75 KCNH2 (0.37) MAOAMAOBKCNH2
SCHEMBL18529024 0.74 ADAMTS5 (0.34) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL1267822 0.74 PDE3B (0.46) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL2924632 0.73 MAOB (0.40) MAOAMAOBNPC1RAB9AHTT
SCHEMBL18543690 0.71 ALDH1A1 (0.44) MAOAMAOBKCNH2NPC1RAB9A
SCHEMBL21409424 0.70 KCNH2 (0.57) MAOAMAOBKCNH2
SCHEMBL21409423 0.70 KCNH2 (0.57) MAOAMAOBKCNH2
SCHEMBL22882173 0.70 KCNH2 (0.43) KCNH2

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-10683307-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-16 US disclosed
US-10683307-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-16 US disclosed
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-05 US disclosed
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-05 US disclosed
US-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 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 (4 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-10683307-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC PDE3B 2296/4885PDE3A 2447/4885MAOA 2751/4885
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS MRPL21, CFTR, NRDC PDE3B 2296/4885PDE3A 2447/4885MAOA 2751/4885
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS CFTR, MRPL21, CLPP PDE3B 1830/4885PDE3A 2007/4885MAOA 3418/4885
US-10364254-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC PDE3B 2296/4885PDE3A 2447/4885MAOA 2751/4885

“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.