SCHEMBL3035756

SCHEMBL3035756

[CH2]CCCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.52
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
NAAA Q02083 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAOA P21397 1/20 0.41
NR4A2 P43354 1/20 0.40
MAOB P27338 1/20 0.39
GGPS1 O95749 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AOC3 Q16853 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP19A1 P11511 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
SCHEMBL5543381 0.98 AGXT (0.50) AGXTIGF1RALOX15GPR84NAAA
SCHEMBL5546178 0.94 AGXT (0.53) AGXTIGF1RALOX15GPR84NAAA
SCHEMBL5544652 0.86 AGXT (0.57) AGXTGPR84FFAR1AKR1B1FFAR4
SCHEMBL29618101 0.86 SIGMAR1 (0.52) AGXTIGF1RALOX15MAOAMAOB
SCHEMBL5541710 0.82 HDAC2 (0.51) FFAR1MAOAMAOB
SCHEMBL58873 0.81 MAOA (0.58) MAOAMAOB
SCHEMBL6059834 0.81 LPL (0.54) AGXTGPR84
SCHEMBL27988774 0.81 CYP4F2 (0.49) AGXTIGF1RALOX15GPR84GGPS1
SCHEMBL2091393 0.81 AGXT (0.58) AGXTFFAR1MAOB
SCHEMBL28309568 0.80 AGXT (0.58) AGXTMAOBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 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 (5 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AGXT 2967/4885IGF1R 459/4885ALOX15 2847/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 AGXT 702/4885IGF1R 121/4885ALOX15 495/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 AGXT 642/4885IGF1R 143/4885ALOX15 1926/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 AGXT 745/4885IGF1R 95/4885ALOX15 795/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 AGXT 450/4885IGF1R 119/4885ALOX15 597/4885

“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.