SCHEMBL3613311

SCHEMBL3613311

O=C(O)NC1CCN(CC2COc3c(Cl)ccc4ncc(=O)n2c34)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.38
KCNH2 Q12809 2/20 0.35
SSTR1 P30872 1/20 0.35
SSTR5 P35346 1/20 0.35
HRH1 P35367 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
MCHR1 Q99705 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3620020 0.86 KCNH2 (0.41) TOP2AKCNH2SIGMAR1KMT2A
SCHEMBL3611170 0.86 KCNH2 (0.41) TOP2AKCNH2SIGMAR1KMT2A
SCHEMBL3614656 0.86 TOP2A (0.36) TOP2AKCNH2SIGMAR1MCHR1PRKAB2
SCHEMBL3615723 0.84 KCNH2 (0.40) TOP2AKCNH2PRKAA2
SCHEMBL3611984 0.84 TOP2A (0.35) TOP2AKCNH2
SCHEMBL3608989 0.79 KCNH2 (0.60) TOP2AKCNH2
SCHEMBL3600151 0.76 KCNH2 (0.43) TOP2AKCNH2
SCHEMBL3324741 0.75 TOP2A (0.57) TOP2AKCNH2SIGMAR1PRKAB2PRKAG1
SCHEMBL3724350 0.75 TOP2A (0.49) TOP2AKCNH2SIGMAR1PRKAB2PRKAG1
SCHEMBL3602537 0.74 SIGMAR1 (0.35) SIGMAR1MCHR1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 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 (1 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS TOP2A 78/4885KCNH2 2914/4885SSTR1 3857/4885

“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.