SCHEMBL910444

SCHEMBL910444

O=C1COc2ccc(C3Oc4cc[c]cc4NC3=O)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.44
PARP1 P09874 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
PKM P14618 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NR3C2 P08235 3/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
HPGD P15428 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
SCHEMBL1744894 0.83 ALDH1A1 (0.39) ALDH1A1GAAMAPTPDE3BPDE3A
SCHEMBL533758 0.80 MMP12 (0.51) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7095486 0.77 HDAC4 (0.37)
SCHEMBL3865428 0.70 DDB1 (0.38) ALDH1A1KMT2ASMN1; SMN2MAPTPKM
SCHEMBL75634 0.68 MMP12 (0.47) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5214798 0.66 MMP12 (0.54) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1450577 0.66 PARP1 (0.60) PARP1PDE3BPDE3A
Hydrochloric Acid SCHEMBL18305022 0.66 MMP12 (0.50) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29754331 0.66 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL861110 0.66 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
US-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED 2011-11-10 US disclosed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity GLAXO GROUP LIMITED (GB) 2006-02-23 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 (6 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-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS NRDC, NGLY1, NISCH MMP12 2172/4885PARP1 1441/4885ALDH1A1 3489/4885
US-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG MMP12 1040/4885PARP1 1176/4885ALDH1A1 3099/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH MMP12 1966/4885PARP1 1313/4885ALDH1A1 4306/4885
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity QARS1, NQO2, AAAS MMP12 2657/4885PARP1 771/4885ALDH1A1 3233/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 MMP12 1278/4885PARP1 911/4885ALDH1A1 2730/4885
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 MMP12 1065/4885PARP1 524/4885ALDH1A1 4501/4885

“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.