SCHEMBL3028162

SCHEMBL3028162

[CH2]CCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KCNH2 Q12809 3/20 0.55
KCNJ1 P48048 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.50
CHRM2 P08172 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8995565 1.00 TSHR (0.56) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL1119477 0.98 TSHR (0.58) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL1119530 0.92 TSHR (0.60) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL18913824 0.88 TSHR (0.69) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL8096572 0.85 POLB (0.61) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL839828 0.84 TSHR (0.64) TSHRKCNH2KCNJ1LOXL2HRH3
SCHEMBL30758863 0.84 TSHR (0.69) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL10608769 0.83 TSHR (0.58) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL10610874 0.83 TSHR (0.58) TSHRKCNH2KCNJ1LOXL2CHRM2
SCHEMBL10607589 0.83 TSHR (0.58) TSHRKCNH2KCNJ1LOXL2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8895599-B2 Lipoprotein lipase-activating compositions comprising benzene derivates OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2014-11-25 US disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
CN-103391944-A Novel macrolide intermediate and novel production process MEIJI SEIKA PHARMA CO LTD 2013-11-13 CN disclosed
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2013-11-07 US disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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 (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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 TSHR 3419/4885KCNH2 2048/4885KCNJ1 1293/4885
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES LPL, LIPC, LIPE TSHR 1836/4885KCNH2 2795/4885KCNJ1 2613/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TSHR 319/4885KCNH2 3503/4885KCNJ1 3581/4885

“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.