SCHEMBL335593

SCHEMBL335593

Cc1ncc(C2OCCO2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
RAB9A P51151 2/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
NSD2 O96028 1/20 0.32
CASP6 P55212 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
NPC1 O15118 1/20 0.31
GLP1R P43220 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
SCHEMBL5021673 0.93 CHRNB2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL26388855 0.81 NSD2 (0.36) CHRNB2CHRNA4RAB9ACYP11B1CYP11B2
SCHEMBL27812298 0.78 NPC1 (0.38) RAB9ACCNB2CDK1CCNB1GSK3B
SCHEMBL16139570 0.76 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL334839 0.75 GLP1R (0.31) CYP11B1CYP11B2GLP1R
Ammonia Solution, Strong SCHEMBL29243772 0.74 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL16762120 0.72 CCNB2 (0.33) CYP11B1CYP11B2NSD2CASP6CCNB2
SCHEMBL24411347 0.71 NSD2 (0.35) RAB9ACYP11B1CYP11B2NSD2CASP6
SCHEMBL31681610 0.71 CYP11B1 (0.38) RAB9ACYP11B1CYP11B2NSD2CASP6
SCHEMBL16623130 0.71 CYP11B1 (0.38) RAB9ACYP11B1CYP11B2NSD2CASP6

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-2379554-B1 NAPHTHYRIDIN-2(1H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2015-11-11 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2379554-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
CN-102105473-A Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2011-06-22 CN disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
WO-2010081874-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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 (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-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS NAT1, RIF1, MRPL21 CHRNB2 4404/4885CHRNA4 4695/4885RAB9A 1801/4885
US-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB CHRNB2 2505/4885CHRNA4 3836/4885RAB9A 768/4885

“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.