SCHEMBL3860414

SCHEMBL3860414

Cc1ccc2ccc(=O)oc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 5/20 0.42
CCR1 P32246 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.41
MCL1 Q07820 5/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA2 P00918 1/20 0.39
SOST Q9BQB4 1/20 0.39

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
SCHEMBL853655 0.72 NOS1 (0.43) NOS1NOS2ALDH1A1CCR1RAB9A
SCHEMBL7921131 0.71 RAB9A (0.42) NOS1NOS2ALDH1A1CCR1RAB9A
SCHEMBL4302172 0.71 CCR1 (0.48) ALDH1A1CCR1MCL1CA12CA9
SCHEMBL19661702 0.70 MEN1 (0.36) ALDH1A1MCL1CA12CA9CA1
SCHEMBL12526773 0.68 CCR1 (0.44) NOS1NOS2CCR1RAB9ACCR5
SCHEMBL1404660 0.68 LMNA (0.47) ALDH1A1CCR1CCR5MCL1CA12
SCHEMBL19267552 0.67 NOS1 (0.45) NOS1NOS2ALDH1A1CCR1RAB9A
Hydrochloric Acid SCHEMBL15228365 0.67 LMNA (0.45) ALDH1A1CCR1CCR5MCL1CA12
SCHEMBL18073977 0.65 MAOA (0.55) ALDH1A1MCL1CA12CA9CA1
SCHEMBL15046535 0.65 NOS1 (1.00) NOS1NOS2ALDH1A1CCR1RAB9A

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 12 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
EP-3182973-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2019-09-18 EP disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
WO-2010043714-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-22 WO disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ NOS1 2910/4885NOS2 2604/4885ALDH1A1 3885/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 NOS1 21/4885NOS2 19/4885ALDH1A1 2255/4885

“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.