SCHEMBL1855865

SCHEMBL1855865

c1ccc(C2=N[N]N=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPK1 P28482 2/20 0.38
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL578114 0.84 MAOA (0.40) ALDH1A1NOTUMKMT2AMEN1
SCHEMBL1854719 0.75 TDP1 (0.38) ALDH1A1RAB9ANPC1NOTUMKMT2A
SCHEMBL3904273 0.75 RAB9A (0.38) ALDH1A1RAB9ANPC1NOTUMSMN1; SMN2
SCHEMBL578179 0.73 GSTP1 (0.44) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL577441 0.73 RAB9A (0.42) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL4132079 0.70 MKNK1 (0.40)
SCHEMBL7682660 0.69 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL405763 0.68 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL21151453 0.67 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL21239964 0.61 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1MAPK1NOTUM

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
EP-2324016-B1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS FERRER INT (ES) 2012-04-25 EP claimed
JP-2011526590-A 2011-10-13 JP claimed
US-20110136829-A1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS FERRER INTERNACIONAL, S.A. (ES) 2011-06-09 US claimed
EP-2324016-A1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Ferrer Internacional, S.A. (ES) 2011-05-25 EP claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
WO-2010000704-A1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS FERRER INTERNACIONAL, S.A. (ES) 2010-01-07 WO claimed
EP-2141162-A1 3-(n-heterocyclyl)-pyrrolidinyl-phenyl-oxazolidinones as antibacterial agents Ferrer Internacional, S.A. (ES) 2010-01-06 EP claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US claimed
US-6498180-B1 SUCH AS 2-(3'-HYDROXYMETHYL-2'-CARBOXYCYCLOPROPYL)GLYCINE; MODULATING METABOTROPIC GLUTAMATE RECEPTOR; TREATING DISORDERS OF CENTRAL NERVOUS ELI LILLY AND COMPANY 2002-12-24 US claimed
EP-1189873-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS Lilly, S.A. (ES) 2002-03-27 EP claimed
WO-2000075101-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY, S.A. (ES) 2000-12-14 WO claimed
US-5144027-A Cephalosporins, process for producing the same, intermediates thereof and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1992-09-01 US claimed
US-4673738-A Novel intermediates of cephalosporins and process for producing 7-(substituted or unsubstituted amino)-3-substituted methyl-Δ3 -cephem-4-carboxylic acids HANDI-PAC INC. (US) 1987-06-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
EP-0110826-B1 6-HYDROXY LOWER ALKYL PENEM COMPOUNDS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0125207-A1 2-Tetrazolylpropyl-2-penem derivatives, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1984-11-14 EP 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 (3 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-20110136829-A1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS OXA1L, MRPL21, RPL5 ALDH1A1 1275/4885RAB9A 1970/4885NPC1 3307/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885RAB9A 902/4885NPC1 79/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885RAB9A 902/4885NPC1 79/4885

“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.